SCHEMBL7353635

SCHEMBL7353635

O=CCC(CSc1ccccc1)(C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.42
MMP3 P08254 3/20 0.42
MMP9 P14780 3/20 0.42
MMP13 P45452 2/20 0.42
MMP1 P03956 1/20 0.42
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8690818 1.00 MMP2 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7353628 1.00 MMP2 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8502321 0.90 RET (0.39) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8505537 0.84 MMP2 (0.43) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8692922 0.77 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1MAPTLMNA
SCHEMBL8505443 0.77 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1MAPTLMNA
SCHEMBL8688113 0.77 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1MAPTLMNA
SCHEMBL8502147 0.74 KDM4E (0.38) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8691037 0.73 MMP2 (0.55) MMP2MMP3MMP9MMP13MMP1
SCHEMBL8688106 0.73 MMP2 (0.55) MMP2MMP3MMP9MMP13MMP1

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
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
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 US disclosed
WO-1998022436-A1 SUBSTITUTED 4-BIPHENYL-4-HYDROXYBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1998-05-28 WO disclosed