SCHEMBL23745294

SCHEMBL23745294

O=C1NC(=O)[C@](CCC(=O)N2Cc3cc(F)c(C(F)(F)F)cc3C2)(C2CC2)N1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.56
▸ MMP13 P45452 2/20 0.56
▸ MMP2 P08253 3/20 0.54
▸ ADAMTS4 O75173 1/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ ADAM17 P78536 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
SCHEMBL23745406 0.91 ADAMTS5 (0.66) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL23745400 0.89 ADAMTS5 (0.56) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL29250251 0.89 ADAMTS5 (0.52) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL23745235 0.89 ADAMTS5 (0.52) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL29116575 0.89 ADAMTS5 (0.56) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL29250261 0.87 ADAMTS5 (0.49) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL29835119 0.87 ADAMTS5 (0.49) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL23745258 0.87 ADAMTS5 (0.49) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL23745214 0.85 ADAMTS5 (0.55) ADAMTS5MMP13MMP2ADAMTS4ADAM17
SCHEMBL29835200 0.85 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4MMP14

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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