SCHEMBL7344629

SCHEMBL7344629

O=C(O)C(CCCc1ccccc1)CC(O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.55
GRIK1 P39086 1/20 0.50
FFAR1 O14842 3/20 0.49
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
ACACB O00763 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
ALOX5 P09917 2/20 0.45
MCL1 Q07820 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL7353605 0.87 PTGES (0.51) GRIK1FFAR1MMP2MMP3ALOX5
SCHEMBL8502670 0.86 MMP12 (0.49) MMP12GRIK1FFAR1MMP2MMP3
SCHEMBL8505233 0.83 GRIK1 (0.54) GRIK1MMP2MMP3PPARGPPARA
SCHEMBL7343532 0.83 GRIK1 (0.54) GRIK1MMP2MMP3PPARGPPARA
SCHEMBL28064096 0.82 PPARG (0.57) FFAR1LTA4HFFAR4ALOX5PPARG
SCHEMBL7376996 0.81 MMP12 (0.56) MMP12GRIK1FFAR1LTA4HEPHX2
SCHEMBL7376302 0.81 MMP12 (0.56) MMP12GRIK1FFAR1LTA4HEPHX2
SCHEMBL7378044 0.81 MMP12 (0.56) MMP12GRIK1FFAR1LTA4HEPHX2
SCHEMBL27477025 0.81 FFAR1 (0.56) MMP12FFAR1ACACBFFAR4MCL1
SCHEMBL1856449 0.80 LTA4H (0.60) MMP12GRIK1FFAR1MMP2MMP3

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