SCHEMBL7353605

SCHEMBL7353605

CCCCCOc1ccc(-c2ccc(C(O)CC(CCCc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.51
ALOX5 P09917 6/20 0.51
PPARG P37231 6/20 0.51
LMNA P02545 1/20 0.47
RARB P10826 3/20 0.46
GRIK1 P39086 1/20 0.46
PPARA Q07869 1/20 0.46
MMP3 P08254 2/20 0.45
MMP2 P08253 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 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
SCHEMBL7344629 0.87 MMP12 (0.55) ALOX5PPARGGRIK1PPARAMMP3
SCHEMBL8505435 0.87 PTGES (0.48) PTGESALOX5PPARGRARBGRIK1
SCHEMBL6412929 0.82 RARB (0.53) PTGESALOX5PPARGRARBPPARA
SCHEMBL7377067 0.82 RARB (0.53) PTGESALOX5PPARGRARBPPARA
SCHEMBL7372219 0.82 RARB (0.53) PTGESALOX5PPARGRARBPPARA
SCHEMBL6416023 0.81 RARB (0.55) PTGESALOX5PPARGLMNARARB
SCHEMBL8505233 0.80 GRIK1 (0.54) PPARGGRIK1PPARAMMP3MMP2
SCHEMBL7343532 0.80 GRIK1 (0.54) PPARGGRIK1PPARAMMP3MMP2
SCHEMBL8041180 0.80 PPARG (0.61) PTGESALOX5PPARGGRIK1PPARA
SCHEMBL8690347 0.78 PPARG (0.49) PTGESALOX5PPARGLMNARARB

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 8 patents. 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
EP-0937036-A1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-08-25 EP claimed
US-5939583-A ANTIARTHRITIC AGENTS; BONE, CARDIOVASCULAR, BRAIN, NERVOUS SYSTEM DISORDERS; ANTITUMOR AND ANTIMETASTASIS AGENTS BAYER CORPORATION (US) 1999-08-17 US claimed
WO-1998022436-A1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1998-05-28 WO claimed
EP-0937036-B1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER AG (US) 2001-12-05 EP disclosed
EP-0937036-A1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-08-25 EP disclosed
US-5939583-A ANTIARTHRITIC AGENTS; BONE, CARDIOVASCULAR, BRAIN, NERVOUS SYSTEM DISORDERS; ANTITUMOR AND ANTIMETASTASIS AGENTS BAYER CORPORATION (US) 1999-08-17 US disclosed
WO-1998022436-A1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1998-05-28 WO disclosed