SCHEMBL23745253

SCHEMBL23745253

COc1cc2c(cc1Cl)CN(C(=O)C(C)C[C@@]1(C3CC3)NC(=O)NC1=O)C2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.59
▸ ADAM17 P78536 8/20 0.59
▸ MMP13 P45452 7/20 0.59
▸ MMP2 P08253 7/20 0.59
▸ ADAMTS4 O75173 3/20 0.55
▸ MMP14 P50281 2/20 0.53
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL29835196 1.00 ADAMTS5 (0.59) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23727865 1.00 ADAMTS5 (0.59) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745217 0.91 ADAMTS5 (0.67) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL29835128 0.91 ADAMTS5 (0.67) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL29835194 0.91 ADAMTS5 (0.67) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23728083 0.91 ADAMTS5 (0.67) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745284 0.91 ADAMTS5 (0.67) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745219 0.91 ADAMTS5 (0.67) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745288 0.91 ADAMTS5 (0.67) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL29835188 0.91 ADAMTS5 (0.67) ADAMTS5ADAM17MMP13MMP2ADAMTS4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 — — CN disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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