SCHEMBL2480671

SCHEMBL2480671

CC(O)CCc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
ADA P00813 1/20 0.48
MTNR1A P48039 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SLC18A2 Q05940 1/20 0.46
NQO2 P16083 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP2C9 P11712 1/20 0.46
ACP3 P15309 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7278105 0.89 SIGMAR1 (0.51) KMT2AADAMTNR1ACYP1A2CYP2C19
SCHEMBL2845252 0.85 ESR1 (0.50) KMT2AMTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL7277353 0.85 MTNR1A (0.49) ADAMTNR1ACYP1A2CYP2C19CYP2D6
Ammonia Solution, Strong SCHEMBL11816347 0.83 ESR1 (0.49) KMT2AMTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL7278098 0.82 TDP1 (0.47) ADAMTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL9295209 0.82 ADA (0.44) KMT2AADAMTNR1ACYP1A2CYP2C19
SCHEMBL4819780 0.81 CYP1A2 (0.47) KMT2AADAMTNR1ACYP1A2CYP2C19
SCHEMBL20825094 0.81 MTNR1A (0.50) ADAMTNR1ACYP1A2CYP2C19CYP2D6
SCHEMBL11816697 0.81 SLC6A2 (0.58) KMT2AADAMTNR1ACYP1A2CYP2C19
SCHEMBL7907492 0.81 NQO2 (0.50) KMT2AADAMTNR1ACYP1A2CYP2C19

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107245023-B A kind of selectivity deoxofluorination reagent and method 中国科学院上海有机化学研究所 2019-08-16 CN disclosed
CN-107245023-A A kind of selective deoxofluorination reagent and method 中国科学院上海有机化学研究所 2017-10-13 CN disclosed
US-8717565-B2 Optically active functional fluid markers THE LUBRIZOL CORPORATION (US) 2014-05-06 US disclosed
EP-2376894-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS The Lubrizol Corporation (US) 2011-10-19 EP disclosed
EP-2373977-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS The Lubrizol Corporation (US) 2011-10-12 EP disclosed
WO-2010077754-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS THE LUBRIZOL CORPORATION (US) 2010-07-08 WO disclosed
WO-2010077753-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS THE LUBRIZOL CORPORATION (US) 2010-07-08 WO disclosed
US-6211397-B1 CHLORINATION OF PHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0603225-B1 PROCESS FOR PRODUCING alpha-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AG (DE) 1997-06-04 EP disclosed
EP-0603225-A1 PROCESS FOR PRODUCING -g(a)-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES. BASF AG (DE) 1994-06-29 EP disclosed
WO-1993005053-A1 PROCESS FOR PRODUCING α-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed