SCHEMBL27463544

SCHEMBL27463544

O=C(O)C(CC(O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
UTS2R Q9UKP6 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.41
PLAAT3 P53816 3/20 0.41
PLAAT5 Q96KN8 3/20 0.41
PLAAT2 Q9NWW9 3/20 0.41
PLAAT4 Q9UL19 3/20 0.41
FFAR1 O14842 1/20 0.41
MMP2 P08253 1/20 0.40
PDPK1 O15530 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27477025 0.83 FFAR1 (0.56) PPARGPPARAFFAR1
SCHEMBL8505233 0.79 GRIK1 (0.54) PPARGPPARACNR2CNR1ADAMTS5
SCHEMBL7343532 0.79 GRIK1 (0.54) PPARGPPARACNR2CNR1ADAMTS5
SCHEMBL27440508 0.78 MMP2 (0.52) PPARGPPARAMEN1KMT2AADAMTS5
SCHEMBL3070798 0.71 PPARG (0.50) SLC6A9SLC6A5PPARGPPARAUTS2R
SCHEMBL30849665 0.71 PPARG (0.50) SLC6A9SLC6A5PPARGPPARAUTS2R
SCHEMBL11358241 0.70 PLAAT3 (0.50) PPARGPPARAMEN1KMT2APLAAT3
SCHEMBL7346260 0.69 MMP2 (0.64) PPARGPPARAFFAR1MMP2
SCHEMBL8504182 0.69 MMP2 (0.64) PPARGPPARAFFAR1MMP2
SCHEMBL7867016 0.69 MMP2 (0.64) PPARGPPARAFFAR1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1140508-C Substituted 4-biphenyl-4-hydroxybutyric acid derivatives as matrix metalloproteinase inhibitors 2004-03-03 CN claimed
CN-1241177-A Substituted 4-biphenyl-4-hydroxybutyric acid derivatives as matrix metalloproteinase inhibitors BAYER AG (US) 2000-01-12 CN claimed
CN-1140508-C Substituted 4-biphenyl-4-hydroxybutyric acid derivatives as matrix metalloproteinase inhibitors 2004-03-03 CN disclosed
CN-1241177-A Substituted 4-biphenyl-4-hydroxybutyric acid derivatives as matrix metalloproteinase inhibitors BAYER AG (US) 2000-01-12 CN disclosed