SCHEMBL9631997

SCHEMBL9631997

CC(C)=CCC/C(C)=C/c1cccc(CCCO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 4/20 0.43
TRPV1 Q8NER1 4/20 0.42
PPARG P37231 4/20 0.42
CNR2 P34972 3/20 0.42
PPARA Q07869 3/20 0.42
CNR1 P21554 2/20 0.42
TRPA1 O75762 1/20 0.42
INHA P05111 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
TRPV2 Q9Y5S1 1/20 0.42
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL9632012 1.00 SQLE (0.43) SQLETRPV1PPARGCNR2PPARA
SCHEMBL9634087 0.88 PPARG (0.41) TRPV1PPARGCNR2PPARACNR1
SCHEMBL9634094 0.88 PPARG (0.41) TRPV1PPARGCNR2PPARACNR1
SCHEMBL9310117 0.86 PPARG (0.43) TRPV1PPARGPPARA
SCHEMBL9310128 0.86 PPARG (0.43) TRPV1PPARGPPARA
SCHEMBL9130490 0.83 SQLE (0.47) SQLETRPV1PPARGCNR2CNR1
SCHEMBL9130491 0.83 SQLE (0.47) SQLETRPV1PPARGCNR2CNR1
SCHEMBL9633735 0.83 TRPV1 (0.50) TRPV1PPARGCNR2PPARA
SCHEMBL9633729 0.83 TRPV1 (0.50) TRPV1PPARGCNR2PPARA
SCHEMBL9633336 0.82 CYP4F2 (0.44) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed