SCHEMBL3718689

SCHEMBL3718689

CC(C)(C)OC(=O)C(CCCN)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.53
MMP9 P14780 7/20 0.53
MMP13 P45452 9/20 0.48
MMP3 P08254 4/20 0.48
MMP1 P03956 3/20 0.47
ADAMTS4 O75173 3/20 0.47
MMP7 P09237 2/20 0.47
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
TARS1 P26639 1/20 0.44
MMP14 P50281 3/20 0.43
MMP12 P39900 1/20 0.42
MEP1B Q16820 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL7945033 0.83 MMP2 (0.58) MMP2MMP9MMP13MMP3MMP1
SCHEMBL1800122 0.81 MMP2 (0.65) MMP2MMP9MMP13MMP3MMP1
SCHEMBL1800019 0.79 MMP2 (0.62) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7215717 0.79 ALDH1A1 (0.47) MMP2MMP9MMP13ADAMTS4ITGB3
SCHEMBL7215705 0.79 ALDH1A1 (0.47) MMP2MMP9MMP13ADAMTS4ITGB3
SCHEMBL5036997 0.78 MMP13 (0.44) MMP2MMP9MMP13MMP3
Hydrochloric Acid SCHEMBL6504666 0.78 ALDH1A1 (0.46) MMP2MMP9MMP13ADAMTS4ITGB3
Hydrochloric Acid SCHEMBL6495647 0.78 ALDH1A1 (0.46) MMP2MMP9MMP13ADAMTS4ITGB3
SCHEMBL13639190 0.78 MMP2 (0.48) MMP2MMP9MMP13MMP3MMP1
SCHEMBL13639186 0.78 MMP2 (0.48) MMP2MMP9MMP13MMP3MMP1

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-2393495-A1 CARJBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) 2011-12-14 EP disclosed
WO-2010089752-A1 CARJBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2010-08-12 WO disclosed