SCHEMBL7167308

SCHEMBL7167308

NC[C@H](NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCN(C=O)OCc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.50
MMP9 P14780 15/20 0.50
ADAMTS4 O75173 2/20 0.50
MMP13 P45452 4/20 0.48
MMP1 P03956 3/20 0.48
MMP3 P08254 3/20 0.48
MMP7 P09237 3/20 0.48
ADAMTS5 Q9UNA0 1/20 0.46
MMP8 P22894 3/20 0.45
MMP12 P39900 2/20 0.45
MMP14 P50281 2/20 0.45

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
SCHEMBL4958790 0.79 MMP2 (0.70) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL7370003 0.77 MMP2 (0.72) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL6888752 0.76 MMP2 (0.44) MMP2MMP9ADAMTS4MMP13MMP1
Trifluoroacetic Acid SCHEMBL4958585 0.75 MMP2 (0.64) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL14271497 0.72 MMP2 (0.62) MMP2MMP9ADAMTS4MMP13MMP1
SCHEMBL6500230 0.71 MMP2 (0.61) MMP2MMP9ADAMTS4MMP13ADAMTS5
SCHEMBL383079 0.71 MMP2 (0.61) MMP2MMP9ADAMTS4MMP13ADAMTS5
Trifluoroacetic Acid SCHEMBL7649357 0.71 MMP2 (0.65) MMP2MMP9ADAMTS4MMP13MMP1
Hydrochloric Acid SCHEMBL7336920 0.70 MMP2 (0.59) MMP2MMP9ADAMTS4MMP13ADAMTS5
Hydrochloric Acid SCHEMBL382133 0.70 MMP2 (0.59) MMP2MMP9ADAMTS4MMP13ADAMTS5

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
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed