SCHEMBL9542258

SCHEMBL9542258

CCOc1ccc(Oc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 4/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9544581 0.88 NPC1 (0.44) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9540799 0.86 TRPM8 (0.51) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9543496 0.83 MEN1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL10453097 0.83 SLC6A9 (0.51) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL9542198 0.80 GAA (0.47) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9540692 0.80 POLB (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9542171 0.79 GAA (0.46) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9542254 0.78 TRPM8 (0.55) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9540773 0.78 SLC6A2 (0.42) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12917871 0.76 ALDH1A1 (0.58) NPC1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed