SCHEMBL8623162

SCHEMBL8623162

CC(C)=CCCCOc1ccc(CCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
FFAR1 O14842 11/20 0.62
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 1/20 0.54
FFAR4 Q5NUL3 3/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
S1PR1 P21453 1/20 0.48

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
SCHEMBL24723558 0.84 LMNA (0.56) LMNAL3MBTL1FFAR1PPARGPPARD
SCHEMBL18265475 0.84 PPARD (0.63) LMNAL3MBTL1FFAR1PPARGPPARD
SCHEMBL24724211 0.82 FFAR1 (0.66) LMNAL3MBTL1FFAR1PPARGPPARD
SCHEMBL25194799 0.82 LMNA (0.51) LMNAL3MBTL1FFAR1
SCHEMBL24723567 0.82 TRPV1 (0.60) LMNAL3MBTL1FFAR1PPARDFFAR4
SCHEMBL5092438 0.82 TRPV1 (0.60) LMNAL3MBTL1FFAR1PPARDFFAR4
SCHEMBL5092441 0.82 TRPV1 (0.60) LMNAL3MBTL1FFAR1PPARDFFAR4
SCHEMBL1205783 0.82 LMNA (0.87) LMNAL3MBTL1FFAR1PPARGPPARD
SCHEMBL9633693 0.81 FFAR1 (0.55) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL12039195 0.81 TRPV1 (0.58) LMNAL3MBTL1FFAR1PPARDFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed