SCHEMBL23745358

SCHEMBL23745358

COc1ccc2c(c1)CN(C(=O)CC[C@@]1(C3CC3)NC(=O)NC1=O)C2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 4/20 0.67
▸ ADAMTS5 Q9UNA0 18/20 0.62
▸ ADAM17 P78536 3/20 0.54
▸ MMP2 P08253 5/20 0.52
▸ MMP13 P45452 2/20 0.52
▸ ADAMTS1 Q9UHI8 1/20 0.52
▸ MMP1 P03956 1/20 0.52
▸ MMP12 P39900 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
SCHEMBL31121173 0.88 ADAMTS4 (0.70) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23727305 0.87 ADAMTS5 (0.53) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL29835150 0.87 ADAMTS5 (0.53) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23727306 0.87 ADAMTS5 (0.53) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23745413 0.85 ADAMTS5 (0.69) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL31121194 0.85 ADAMTS5 (0.69) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL29250248 0.84 ADAMTS5 (0.55) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL29250247 0.84 ADAMTS5 (0.55) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23745412 0.84 ADAMTS5 (0.65) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23727712 0.84 ADAMTS5 (0.66) ADAMTS4ADAMTS5ADAM17MMP2MMP13

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
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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