SCHEMBL7064617

SCHEMBL7064617

CCCCCCCCC1Cc2cc(B(O)O)cc(F)c2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.36
HCAR2 Q8TDS4 2/20 0.34
LPL P06858 6/20 0.34
LIPG Q9Y5X9 6/20 0.34
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
S1PR3 Q99500 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7062160 0.80 FYN (0.38) FYNHCAR2CYP3A4CYP2C8S1PR3
SCHEMBL7061221 0.78 CYP3A4 (0.39) FYNHCAR2CYP3A4CYP2C8S1PR3
SCHEMBL8420868 0.78 LIPG (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL8126930 0.78 LIPG (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL8556025 0.78 LIPG (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL7062989 0.77 CYP3A4 (0.37) FYNHCAR2CYP3A4CYP2C8S1PR3
SCHEMBL31707932 0.76 FYN (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL8554506 0.76 FYN (0.44) FYNLPLLIPGTRPV1MGLL
SCHEMBL20044948 0.76 FYN (0.39) FYNHCAR2CYP3A4CYP2C8S1PR3
SCHEMBL29186363 0.73 MEN1 (0.36) LPLLIPGTRPV1MGLLCYP1A2

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