SCHEMBL2597761

SCHEMBL2597761

CCOC(=O)[C@]1(CO)c2ccccc2C(=O)N1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
OPRM1 P35372 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
EIF4H Q15056 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL2597994 1.00 ATM (0.41) ATMOPRM1OPRD1OPRK1SLC22A1
SCHEMBL12185862 0.86 CTRB1 (0.42) ALDH1A1MDM2
SCHEMBL12185427 0.85 ALDH1A1 (0.40) ATMOPRM1OPRD1OPRK1SLC22A1
SCHEMBL12185898 0.84 ALDH1A1 (0.39) ATMKCNH2ALDH1A1MAPTHPGD
SCHEMBL2599307 0.81 ALDH1A1 (0.42) OPRM1ALDH1A1MAPTCA12CA9
SCHEMBL2599267 0.81 ALDH1A1 (0.42) OPRM1ALDH1A1MAPTCA12CA9
SCHEMBL2597754 0.81 ALDH1A1 (0.42) OPRM1ALDH1A1MAPTCA12CA9
SCHEMBL12185417 0.80 OPRM1 (0.42) ATMOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL12185899 0.73 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13136409 0.71 MDM2 (0.44) ALDH1A1MAPTKDM4EMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed