SCHEMBL9309827

SCHEMBL9309827

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.49
FBP1 P09467 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
TTR P02766 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
ICMT O60725 1/20 0.43
GMNN O75496 1/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CDK2 P24941 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL9309835 1.00 UNG (0.49) UNGFBP1PPARGPPARATTR
SCHEMBL9128784 0.82 POLB (0.53) POLBMAPTICMTGMNNTRPA1
SCHEMBL9128795 0.82 POLB (0.53) POLBMAPTICMTGMNNTRPA1
SCHEMBL9633729 0.80 TRPV1 (0.50) PPARGPPARAMAOBTRPV1FNTA
SCHEMBL9633735 0.80 TRPV1 (0.50) PPARGPPARAMAOBTRPV1FNTA
SCHEMBL9288443 0.79 POLB (0.50) POLBMAPTICMTGMNNTRPA1
SCHEMBL11052318 0.79 POLB (0.50) POLBMAPTICMTGMNNTRPA1
SCHEMBL21839363 0.79 PPARG (0.48) PPARGPPARAMAOBBACE1
SCHEMBL21839366 0.79 PPARG (0.48) PPARGPPARAMAOBBACE1
SCHEMBL21855311 0.79 PPARG (0.48) PPARGPPARAMAOBBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374628-A Aryl and heteroaryl(phosphinylmethyl)phosphonate squalene synthetase inhibitors and method E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed
US-5278153-A Hypocholesterolemic or hypolipemic E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed
EP-0570706-A1 Aryl and heteroaryl (phosphinylmethyl) phosphonate squalene synthetase inhibitors and method E.R. SQUIBB & SONS, INC. (US) 1993-11-24 EP disclosed
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