SCHEMBL7065554

SCHEMBL7065554

CCCCCCCCc1ccc(-c2cc(F)c3c(c2)CC(CCCCCCCC)C3)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.47
SMN1; SMN2 Q16637 9/20 0.47
NPC1 O15118 8/20 0.47
MAPT P10636 4/20 0.47
STAT3 P40763 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
NFKB1 P19838 4/20 0.44
NFKB2 Q00653 4/20 0.44
RELA Q04206 4/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL7065056 0.86 RAB9A (0.39) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8553142 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL7061221 0.79 CYP3A4 (0.39) RARBRARARARGCYP3A4CYP2C8
SCHEMBL8552022 0.74 RARB (0.41) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL7061245 0.74 RARB (0.41) RAB9ANPC1TP53HPGDRARB
SCHEMBL7062989 0.73 CYP3A4 (0.37) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL7064930 0.73 S1PR1 (0.39) ALDH1A1HPGDS1PR3
SCHEMBL9159826 0.73 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9153631 0.73 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9158294 0.73 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027403-B1 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RES & TECH GMBH & CO (DE) 2003-05-28 EP disclosed
US-6485797-B1 5-Arylindane derivatives and ferroelectric liquid crystal mixture containing same AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-11-26 US disclosed
EP-1027403-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-16 EP disclosed
WO-1999019420-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-22 WO disclosed