SCHEMBL7436958

SCHEMBL7436958

Cc1ccc(S(=O)(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.85
MMP9 P14780 10/20 0.85
MMP1 P03956 3/20 0.77
MMP3 P08254 2/20 0.77
MMP7 P09237 2/20 0.77
MMP13 P45452 2/20 0.77
FOLH1 Q04609 2/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MMP14 P50281 4/20 0.56
ADAM10 O14672 3/20 0.56
ADAM17 P78536 3/20 0.56
TGM2 P21980 1/20 0.55
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
MMP8 P22894 2/20 0.52
MMP12 P39900 2/20 0.52
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52

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
SCHEMBL10365919 1.00 MMP2 (0.85) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6122901 0.93 MMP2 (0.90) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3619933 0.87 MMP2 (0.80) MMP2MMP9MMP1MMP3MMP7
SCHEMBL15238617 0.86 MMP2 (0.76) MMP2MMP9MMP1MMP3MMP7
SCHEMBL10619187 0.86 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7894794 0.85 MMP2 (0.73) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5655210 0.84 MMP2 (0.75) MMP2MMP9MMP1MMP3MMP7
SCHEMBL14328287 0.83 MMP9 (0.59) MMP2MMP9MMP1MMP3MMP7
SCHEMBL13426068 0.83 RAB9A (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL29397920 0.82 ALDH1A1 (0.63) MMP2MMP9MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328932-A Cardiovascular disorders, antiischemic agents and stroke BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-12 US disclosed
US-5248673-A Antiischemic, anticoagulant BRISTOL-MYERS SQUIBB CO. (US) 1993-09-28 US disclosed