SCHEMBL6823946

SCHEMBL6823946

COc1ccc(SC(CC(=O)O)Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
LDHA P00338 1/20 0.49
CPA1 P15085 2/20 0.46
CPB1 P15086 1/20 0.46
CPA3 P15088 1/20 0.46
CPB2 Q96IY4 1/20 0.46
PKM P14618 1/20 0.46
MMP1 P03956 3/20 0.45
KMT2A Q03164 2/20 0.45
MMP2 P08253 2/20 0.45
MMP3 P08254 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
FPR2 P25090 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MMP9 P14780 2/20 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
SCHEMBL7301821 0.93 ALDH1A1 (0.48) PPARGPPARAKMT2ANPC1RAB9A
SCHEMBL6823578 0.92 MMP12 (0.48) PPARGPPARALDHAPKMMMP2
SCHEMBL7302641 0.87 PPARG (0.51) PPARGPPARACPA1CPB1CPA3
SCHEMBL6823210 0.87 MMP1 (0.59) PPARGPPARAMMP1MMP2MMP3
SCHEMBL7308314 0.85 CPA1 (0.58) CPA1CPB1CPA3CPB2PKM
SCHEMBL6823537 0.84 MMP1 (0.49) MMP1KMT2AMMP2MMP3PDE4A
SCHEMBL7304806 0.83 PPARG (0.44) PPARGPPARALDHAMMP1KMT2A
SCHEMBL6819934 0.83 LDHA (0.46) LDHACPA1CPB1CPA3CPB2
SCHEMBL7297423 0.82 CPA1 (0.51) PPARGPPARACPA1CPB1CPA3
SCHEMBL7302912 0.82 CPA1 (0.51) CPA1CPB1CPA3CPB2PKM

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-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed