SCHEMBL40790

SCHEMBL40790

[CH]1c2ccccc2CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAOB P27338 2/20 0.44
KDM1A O60341 1/20 0.43
CES1 P23141 1/20 0.42
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
HTR2C P28335 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
RET P07949 1/20 0.36
HTR2A P28223 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36

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
SCHEMBL232478 0.82 CYP2A6 (0.48) TSHRMAOBKDM1ACES1CYP2A6
SCHEMBL2235621 0.81 TRPA1 (0.50) TSHRMAOBCYP11B1CYP11B2HTR2C
SCHEMBL20511815 0.81 PARP1 (0.46) TSHRMAOBKDM1ACES1ORAI1
SCHEMBL20511816 0.81 PARP1 (0.46) TSHRMAOBKDM1ACES1ORAI1
SCHEMBL4234808 0.78 CYP11B1 (0.40) MAOBKDM1ACYP11B1CYP11B2CYP19A1
SCHEMBL4465325 0.75 TSHR (0.71) TSHRMAOBCES1ORAI1ORAI2
SCHEMBL29351986 0.75
SCHEMBL34906 0.75
SCHEMBL33555 0.75
SCHEMBL2537275 0.75 CYP11B2 (0.41) MAOBKDM1ACYP11B1CYP11B2CYP19A1

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

Appears in 4662 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380998-A2 METHOD OF SYNTHESIZING A MUCIN AND PRODUCT THEREOF Research Foundation Of The City University Of New York (US) 2024-06-12 EP claimed
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
WO-2023014875-A2 METHOD OF SYNTHESIZING A MUCIN AND PRODUCT THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2023-02-09 WO claimed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US claimed
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP claimed
EP-0207563-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-31 EP claimed
US-5030646-A Treatment of diseases resulting from disfunction of seretoninergic system ADIR ET COMPAGNIE (FR) 1991-07-09 US claimed
US-4877779-A CALCIUM CHANNEL BLOCKERS; TREATMENT OF IRRITABLE BOWEL SYNDROME MARION LABORATORIES, INC. (US) 1989-10-31 US claimed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP claimed
EP-0289066-A1 1,5-Substituted 1H-imidazoles JANSSEN PHARMACEUTICA N.V. (BE) 1988-11-02 EP claimed
EP-0277384-A2 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-10 EP claimed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP claimed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 US claimed
US-4002624-A HERBICIDES, FUNGICIDES, INSECTICIDES, ANTIMICROBIALS THE DOW CHEMICAL COMPANY (US) 1977-01-11 US claimed