SCHEMBL7347169

SCHEMBL7347169

O=C(C[C@H](CCCc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.60
MMP3 P08254 4/20 0.60
MMP9 P14780 4/20 0.60
MMP13 P45452 2/20 0.60
MMP1 P03956 2/20 0.60
MMP8 P22894 2/20 0.60
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
GRIK1 P39086 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
KMO O15229 1/20 0.48
DPP4 P27487 1/20 0.45
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 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
SCHEMBL7371830 1.00 MMP2 (0.60) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7352438 1.00 MMP2 (0.60) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6411354 0.92 TSHR (0.54) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7861733 0.86 TSHR (0.66) MMP2MMP3MMP9MMP1MMP8
SCHEMBL7454774 0.86 MMP2 (0.62) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7457079 0.85 MMP2 (0.60) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8688109 0.84 PPARG (0.48) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7922577 0.84 PPARG (0.56) MMP2MMP3MMP9MMP13PPARG
SCHEMBL7462669 0.84 MMP2 (0.59) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7378044 0.83 MMP12 (0.56) GRIK1MAPTMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP claimed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 WO claimed
EP-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP disclosed
EP-0937036-B1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER AG (US) 2001-12-05 EP disclosed
US-6166082-A Substituted 5-biarylpentanoic acids and derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 2000-12-26 US disclosed
US-6143736-A USED TO ALLEVIATE STRESS, ANXIETY, SEIZURES, MOOD DISORDERS, PREMENSTRUAL SYNDROME(PMS) AND POSTNATAL DEPRESSION (PND AND TO INDUCE ANESTHESIA COCENSYS, INC. (US) 2000-11-07 US disclosed
EP-0937036-A1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-08-25 EP disclosed
WO-1998022436-A1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1998-05-28 WO disclosed
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP disclosed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 WO disclosed