SCHEMBL9633693

SCHEMBL9633693

CC(C)=CCCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.55
KEAP1 Q14145 1/20 0.53
TRPV1 Q8NER1 2/20 0.49
FFAR4 Q5NUL3 2/20 0.49
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL9127995 0.82 TRPV1 (0.51) FFAR1KEAP1TRPV1LMNAL3MBTL1
SCHEMBL9128012 0.82 TRPV1 (0.51) FFAR1KEAP1TRPV1LMNAL3MBTL1
SCHEMBL9633738 0.81 ALDH1A1 (0.52) TRPV1L3MBTL1HSD17B10ALDH1A1
SCHEMBL8623162 0.81 LMNA (0.64) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL24723559 0.80 HSD17B10 (0.44) FFAR1KEAP1TRPV1HSD17B10ALDH1A1
SCHEMBL69746 0.79 FFAR1 (0.81) FFAR1KEAP1FFAR4LMNAL3MBTL1
SCHEMBL18265475 0.78 PPARD (0.63) FFAR1FFAR4LMNAL3MBTL1
Geraniol SCHEMBL28142403 0.78 TRPV1 (0.64) FFAR1KEAP1TRPV1LMNAHSD17B10
SCHEMBL24723567 0.78 TRPV1 (0.60) FFAR1TRPV1FFAR4LMNAL3MBTL1
SCHEMBL5092438 0.78 TRPV1 (0.60) FFAR1TRPV1FFAR4LMNAL3MBTL1

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