SCHEMBL20124798

SCHEMBL20124798

C=C(O)C(NS(=O)(=O)c1ccc(-c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1)C(C)C

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 13/20 0.86
MMP2 P08253 5/20 0.62
MMP13 P45452 4/20 0.62
MMP14 P50281 3/20 0.62
MMP7 P09237 1/20 0.62
MMP12 P39900 1/20 0.62
MAPT P10636 1/20 0.51

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
SCHEMBL12684680 0.92 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL1658546 0.92 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL12247612 0.92 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL1655209 0.86 ADAMTS4 (0.78) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL13314510 0.81 ADAMTS4 (0.80) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL3608574 0.81 ADAMTS4 (0.80) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL1658625 0.79 ADAMTS4 (0.76) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL3896602 0.79 ADAMTS4 (0.67) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL12684636 0.78 ADAMTS4 (0.73) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL3618624 0.77 MMP2 (1.00) ADAMTS4MMP2MMP13MMP14MMP7

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
EP-2681209-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed