SCHEMBL7061245

SCHEMBL7061245

CCCCCCCCCCOc1ccc(-c2cc(F)c3c(c2)CC(CCCCCCCC)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
RARA P10276 1/20 0.41
NR5A1 Q13285 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
LTA4H P09960 1/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ITGB3 P05106 1/20 0.36

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
SCHEMBL7064930 0.88 S1PR1 (0.39) HPGDTHRATHRBPTPN11
SCHEMBL7792455 0.78 HTR1D (0.37) RARBRARANR5A1CYP3A4CYP2D6
SCHEMBL5722671 0.78 HTR1D (0.37) RARBRARANR5A1CYP3A4CYP2D6
SCHEMBL11140514 0.77 CYP3A4 (0.49) RARBNR5A1CYP3A4CYP2D6CYP2C9
SCHEMBL11139616 0.77 CYP3A4 (0.49) RARBNR5A1CYP3A4CYP2D6CYP2C9
SCHEMBL11145188 0.77 CYP3A4 (0.49) RARBNR5A1CYP3A4CYP2D6CYP2C9
SCHEMBL11144888 0.77 CYP3A4 (0.49) RARBNR5A1CYP3A4CYP2D6CYP2C9
SCHEMBL11141466 0.77 CYP3A4 (0.49) RARBNR5A1CYP3A4CYP2D6CYP2C9
SCHEMBL11136139 0.77 CYP3A4 (0.49) RARBNR5A1CYP3A4CYP2D6CYP2C9
SCHEMBL11142485 0.77 CYP3A4 (0.49) RARBNR5A1CYP3A4CYP2D6CYP2C9

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