SCHEMBL23745423

SCHEMBL23745423

O=C(CC[C@@]1(C2CC2)NC(O)NC1=O)N1Cc2cc(Cl)c(Cl)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.44
▸ ADAM17 P78536 4/20 0.44
▸ MMP2 P08253 6/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ ADAMTS4 O75173 2/20 0.42
▸ ADAMTS1 Q9UHI8 1/20 0.42
▸ MMP1 P03956 1/20 0.40
▸ MMP12 P39900 1/20 0.40

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
SCHEMBL23745364 0.90 ADAMTS5 (0.40) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745209 0.83 ADAMTS5 (0.39) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745230 0.82 ADAMTS5 (0.37) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL29835187 0.82 ADAMTS5 (0.65) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23727486 0.82 ADAMTS5 (0.65) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23727487 0.82 ADAMTS5 (0.65) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745378 0.82 ADAMTS5 (0.46) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745391 0.80 ADAMTS5 (0.47) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745299 0.79 ADAMTS5 (0.35) ADAMTS5ADAM17MMP2MMP13MMP14
SCHEMBL23745236 0.75 ADAMTS5 (0.59) ADAMTS5ADAM17MMP2MMP13MMP14

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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