SCHEMBL7864559

SCHEMBL7864559

CCC(c1ccccc1)C(CC(O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.48
ACACB O00763 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
MAOB P27338 1/20 0.46
MMP12 P39900 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
SRD5A2 P31213 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL5356393 0.80 MAOB (0.56) FFAR1NR4A1NR4A2NR4A3MAOB
SCHEMBL6190389 0.76 LMNA (0.58) NR4A1NR4A2NR4A3MAOBALOX5
SCHEMBL11204234 0.76 LMNA (0.50) NR4A1NR4A2NR4A3MAOBSRD5A2
SCHEMBL27477025 0.75 FFAR1 (0.56) FFAR1ACACBNR4A1NR4A2NR4A3
SCHEMBL11696497 0.75 LMNA (0.56) FFAR1MAOBALOX5
SCHEMBL7344629 0.74 MMP12 (0.55) FFAR1ACACBMMP12ALOX5
SCHEMBL28064096 0.73 PPARG (0.57) FFAR1NR4A1NR4A2NR4A3MAOB
SCHEMBL7908556 0.73 MAOB (0.56) FFAR1NR4A1NR4A2NR4A3MAOB
SCHEMBL9121973 0.72 ACACB (0.60) FFAR1ACACBMAOBMMP12ALOX5
SCHEMBL4818098 0.72 PPARG (0.70)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937036-B1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER AG (US) 2001-12-05 EP claimed