SCHEMBL6947486

SCHEMBL6947486

COc1ccc(CC(O)C(F)(F)F)c(CCOC2CCCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4C Q9H3R0 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TAAR1 Q96RJ0 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.32
EPHX2 P34913 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6402719 0.78 NPC1 (0.53) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL6400712 0.78 NPC1 (0.59) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL6408281 0.76 NPC1 (0.44) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL13528874 0.72 NPC1 (0.54) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL30076909 0.71 L3MBTL1 (0.52) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL7217804 0.70 NPC1 (0.43) NPC1RAB9AMEN1KMT2AOPRM1
SCHEMBL8580077 0.70 L3MBTL1 (0.59) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL6402015 0.70 NPC1 (0.45) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL5610112 0.70 NPC1 (0.48) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL19127703 0.69 NPC1 (0.51) NPC1RAB9AKDM4CMEN1KMT2A

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
EP-1178984-B1 1-TRIFLUOROMETHYL-4-HYDROXY-7-PIPERIDINYL-AMINOMETHYLCHROMAN DERIVATIVES PFIZER PROD INC (US) 2003-03-19 EP disclosed