SCHEMBL9633243

SCHEMBL9633243

CC(C)=Cc1ccc(CCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.55
KEAP1 Q14145 1/20 0.53
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
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL8626051 0.95 FFAR1 (0.61) FFAR1KEAP1FFAR4LMNAL3MBTL1
SCHEMBL9633801 0.88 MAPT (0.56) FFAR1HSD17B10ALDH1A1RXRARXRB
SCHEMBL9127995 0.82 TRPV1 (0.51) FFAR1KEAP1LMNAL3MBTL1
SCHEMBL9128012 0.82 TRPV1 (0.51) FFAR1KEAP1LMNAL3MBTL1
SCHEMBL7557512 0.81 CA2 (0.52) FFAR1LMNACA2HSD17B10ALDH1A1
SCHEMBL9633674 0.80 KEAP1 (0.52) FFAR1KEAP1FFAR4ALDH1A1
SCHEMBL69746 0.79 FFAR1 (0.81) FFAR1KEAP1FFAR4LMNAL3MBTL1
SCHEMBL7070725 0.79 FFAR1 (0.52) FFAR1KEAP1FFAR4LMNAL3MBTL1
SCHEMBL7070730 0.79 FFAR1 (0.52) FFAR1KEAP1FFAR4LMNAL3MBTL1
SCHEMBL643711 0.79 FFAR1 (0.61) FFAR1KEAP1FFAR4CA1CA2

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