SCHEMBL7308314

SCHEMBL7308314

O=C(O)CC(Cc1ccccc1)Sc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.58
CPA3 P15088 2/20 0.58
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
MIF P14174 1/20 0.49
CYP1A2 P05177 1/20 0.46
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
MME P08473 1/20 0.42
KEAP1 Q14145 1/20 0.42
LTA4H P09960 2/20 0.42
MDM2 Q00987 1/20 0.42
FFAR1 O14842 1/20 0.41
SLC15A1 P46059 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL7302912 0.94 CPA1 (0.51) CPA1CPA3CPB1CPB2MIF
SCHEMBL7297423 0.90 CPA1 (0.51) CPA1CPA3CPB1CPB2MIF
SCHEMBL7301712 0.89 CPA1 (0.50) CPA1CPA3CPB1CPB2MIF
SCHEMBL7302641 0.86 PPARG (0.51) CPA1CPA3CPB1CPB2FFAR1
SCHEMBL6823946 0.85 PPARG (0.52) CPA1CPA3CPB1CPB2PKM
SCHEMBL7310081 0.84 CPA1 (0.49) CPA1CPA3CPB1CPB2MIF
SCHEMBL7300405 0.83 MME (0.50) MMELTA4H
SCHEMBL27462683 0.81 PPARG (0.53) CPA1CPA3CPB1CPB2PKM
SCHEMBL9107677 0.80 CPA1 (0.55) CPA1CPA3CPB1CPB2MIF
SCHEMBL6819761 0.79 TRPA1 (0.48) CPA1CPA3CPB1CPB2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP 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-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed