SCHEMBL9298232

SCHEMBL9298232

COc1ccc([C@@H](C(=O)O)N(C(=O)CNC(=O)Nc2cccc(C)c2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CASR P41180 2/20 0.45
KCNK3 O14649 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 2/20 0.42
FPR2 P25090 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL9298227 1.00 NPC1 (0.54) NPC1RAB9ATP53NFKB1NFKB2
SCHEMBL9298909 0.89 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9298915 0.89 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9298891 0.89 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2CASRKCNK3
SCHEMBL9298895 0.89 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2CASRKCNK3
SCHEMBL9298848 0.85 ALOX5 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9298852 0.85 ALOX5 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9298112 0.85 MCHR1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9298109 0.85 MCHR1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9297099 0.84 MEN1 (0.43) NPC1RAB9ASMN1; SMN2CASRMEN1

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-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 US disclosed