SCHEMBL8935647

SCHEMBL8935647

CCC(Oc1ccccc1C#N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK14 Q16539 1/20 0.40

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
SCHEMBL8935651 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL6538619 0.86 SMN1; SMN2 (0.45) SMN1; SMN2TSHRPPARAPPARG
SCHEMBL6258626 0.86 PPARG (0.48) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL4744285 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL3110670 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL28460903 0.79 CYP2D6 (0.48) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL6173511 0.78 HTR1A (0.47) SMN1; SMN2MAPK1NPC1RAB9AALDH1A1
SCHEMBL17633012 0.78 SMN1; SMN2 (0.49) SMN1; SMN2TSHRGAAPPARAPPARG
SCHEMBL8935641 0.78 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRPPARAPPARG
SCHEMBL8935639 0.78 KMT2A (0.62) SMN1; SMN2ALDH1A1TSHRPPARAPPARG

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
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed