SCHEMBL45323

SCHEMBL45323

CC(Cc1ccc(I)cc1)OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PMP22 Q01453 2/20 0.42
APEX1 P27695 1/20 0.42
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
NR1I3 Q14994 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5038982 0.84 NPC1 (0.50) CYP1A2PTGS1LMNATSHRSIGMAR1
SCHEMBL457465 0.74 TBXAS1 (0.51) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL9910745 0.74 TBXAS1 (0.51) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL12639935 0.74 TBXAS1 (0.51) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL6869156 0.71 LDHA (0.57) CYP1A2CYP2D6PTGS1PTGS2LMNA
SCHEMBL14019341 0.71 CYP1A2 (0.48) CYP1A2CYP2D6PMP22APEX1PTGS1
SCHEMBL10151312 0.71 RXRA (0.50) RXRARXRB
SCHEMBL5998701 0.70 RXRA (0.46) CYP1A2CYP2D6CYP2C9RXRARXRB
SCHEMBL2718708 0.70 RXRA (0.46) CYP1A2CYP2D6CYP2C9RXRARXRB
SCHEMBL1066034 0.70 CYP1A2 (0.49) CYP1A2CYP2D6PMP22APEX1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11957664-B2 Molecular genetic approach to treatment and diagnosis of alcohol and drug dependence UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-04-16 US disclosed
US-20230263776-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-08-24 US disclosed
US-20230241032-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-08-03 US disclosed
US-20230014787-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-01-19 US disclosed
US-11324723-B2 Molecular genetic approach to treatment and diagnosis of alcohol and drug dependence UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-05-10 US disclosed
US-11116753-B2 Molecular genetic approach to treatment and diagnosis of alcohol and drug dependence UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-09-14 US disclosed
US-20210023058-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE UNIVERSITY OF VIRGINIA 2021-01-28 US disclosed
US-20200316028-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE UNIVERSITY OF VIRGINIA 2020-10-08 US disclosed
US-10603307-B2 Molecular genetic approach to treatment and diagnosis of alcohol and drug dependence UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-03-31 US disclosed
EP-2801625-B1 Molecular genetic approach to treatment and diagnosis of alcohol and drug dependence UNIV VIRGINIA PATENT FOUNDATION (US) 2017-11-01 EP disclosed
US-20170239222-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE UNIVERSITY OF VIRGINIA 2017-08-24 US disclosed
US-9539242-B2 Molecular genetic approach to treatment and diagnosis of alcohol and drug dependence UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-01-10 US disclosed
EP-2801625-A1 Molecular genetic approach to treatment and diagnosis of alcohol and drug dependence University Of Virginia (US) 2014-11-12 EP disclosed
US-20140288139-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE UNIVERSITY OF VIRGINIA 2014-09-25 US disclosed
US-8753815-B2 Molecular genetic approach to treatment and diagnosis of alcohol and drug dependence UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-17 US disclosed
EP-2588630-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE University Of Virginia Patent Foundation (US) 2013-05-08 EP disclosed
US-20130012559-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-01-10 US disclosed
US-20120115149-A1 SEROTONIN TRANSPORTER GENE AND TREATMENT OF ALCOHOLISM UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-10 US disclosed
WO-2012003462-A1 MOLECULAR GENETIC APPROACH TO TREATMENT AND DIAGNOSIS OF ALCOHOL AND DRUG DEPENDENCE JOHNSON BANKOLE A (US) 2012-01-05 WO disclosed
CN-101014359-A Method of treating parkinson's disease in humans by direct infusion of glial cell-line derived neurotrophic factor into the zona incerta RENISHAW PLC (GB) 2007-08-08 CN disclosed