SCHEMBL5139951

SCHEMBL5139951

CC(C)(C)OC(=O)NCC(NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.62
MMP9 P14780 13/20 0.62
MMP1 P03956 3/20 0.58
MMP3 P08254 2/20 0.58
MMP7 P09237 2/20 0.58
MMP13 P45452 2/20 0.58
SYK P43405 1/20 0.48
ADAMTS4 O75173 2/20 0.47
MMP14 P50281 3/20 0.46
ADAM10 O14672 2/20 0.46
ADAM17 P78536 2/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MMP8 P22894 2/20 0.45
MMP12 P39900 2/20 0.45
ADAMTS5 Q9UNA0 1/20 0.44
MAPT P10636 1/20 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
SCHEMBL4958777 1.00 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL14289008 0.94 MMP2 (0.57) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6073739 0.91 MMP2 (0.61) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4654917 0.85 MMP2 (0.56) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4958790 0.84 MMP2 (0.70) MMP2MMP9MMP1MMP3MMP7
SCHEMBL27202571 0.83 MMP2 (0.53) MMP2MMP9MMP1MMP3MMP7
Trifluoroacetic Acid SCHEMBL4958585 0.81 MMP2 (0.64) MMP2MMP9MMP1MMP3MMP7
SCHEMBL14271497 0.81 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7041551 0.81 ITGAV (0.53) MMP2MMP9MMP14ALDH1A1MMP8
SCHEMBL27464973 0.81 ITGAV (0.53) MMP2MMP9MMP14ALDH1A1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed