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SCHEMBL20124801

SCHEMBL20124801

CCC(CC)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4cc(OC)ccc4o3)cc2)cc1)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 17/20 0.82
▸ MMP14 P50281 4/20 0.82
▸ MMP13 P45452 6/20 0.64
▸ ADAMTS4 O75173 1/20 0.62
▸ MMP7 P09237 1/20 0.62
▸ MMP12 P39900 1/20 0.62
▸ BCAT1 P54687 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
SCHEMBL3612416 0.91 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL2380526 0.91 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3622220 0.85 MMP2 (0.87) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3612423 0.79 MMP2 (0.83) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL5787705 0.79 MMP2 (0.83) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3612421 0.79 MMP2 (0.83) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3618625 0.79 MMP2 (0.83) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3618623 0.79 MMP2 (0.83) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3607665 0.79 MMP2 (0.81) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL12247610 0.79 MMP2 (0.81) MMP2MMP14MMP13ADAMTS4MMP7

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