SCHEMBL9633735

SCHEMBL9633735

CC(C)=CCCC(C)=Cc1cccc(CCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CNR2 P34972 1/20 0.44
PTPRB P23467 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
PTEN P60484 1/20 0.43
PTPMT1 Q8WUK0 1/20 0.43
KEAP1 Q14145 1/20 0.42
FFAR1 O14842 2/20 0.41
MAOB P27338 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL9633729 1.00 TRPV1 (0.50) TRPV1PPARGPPARACNR2PTPRB
SCHEMBL9633674 0.84 KEAP1 (0.52) PTPRBCDC25ACDC25BPTENPTPMT1
SCHEMBL9127995 0.83 TRPV1 (0.51) TRPV1KEAP1FFAR1FNTAFNTB
SCHEMBL9128012 0.83 TRPV1 (0.51) TRPV1KEAP1FFAR1FNTAFNTB
SCHEMBL9632012 0.83 SQLE (0.43) TRPV1PPARGPPARACNR2
SCHEMBL9631997 0.83 SQLE (0.43) TRPV1PPARGPPARACNR2
SCHEMBL9310128 0.82 PPARG (0.43) TRPV1PPARGPPARA
SCHEMBL9310117 0.82 PPARG (0.43) TRPV1PPARGPPARA
SCHEMBL9634087 0.82 PPARG (0.41) TRPV1PPARGPPARACNR2
SCHEMBL9634094 0.82 PPARG (0.41) TRPV1PPARGPPARACNR2

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