SCHEMBL7064930

SCHEMBL7064930

CCCCCCCCOc1ccc(-c2cc(F)c3c(c2)CC(CCCCCCCC)C3)cc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTPN11 Q06124 5/20 0.37
S1PR2 O95136 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
MGLL Q99685 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
FPR2 P25090 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
SCHEMBL7061245 0.88 RARB (0.41) THRATHRBPTPN11HPGD
SCHEMBL9483389 0.79 THRA (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9477667 0.79 THRA (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9484995 0.79 THRA (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9484258 0.79 THRA (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9484989 0.79 THRA (0.53) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9399556 0.78 THRA (0.52) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9484097 0.78 THRA (0.52) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9484969 0.78 THRA (0.51) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL9486073 0.76 THRA (0.51) S1PR1S1PR3S1PR4S1PR5THRA

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