SCHEMBL23745279

SCHEMBL23745279

COc1cccc2c1CCN(C(=O)CC[C@@]1(C3CC3)NC(=O)NC1=O)CC2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 3/20 0.63
▸ ADAMTS5 Q9UNA0 18/20 0.58
▸ MMP2 P08253 6/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ ADAMTS1 Q9UHI8 1/20 0.56

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
SCHEMBL23745396 0.86 ADAMTS5 (0.72) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL31121173 0.83 ADAMTS4 (0.70) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL29262510 0.81 ADAMTS5 (0.66) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL23745296 0.79 ADAMTS5 (0.68) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL23745281 0.79 ADAMTS5 (0.62) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL19691587 0.77 ADAMTS4 (1.00) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL23745361 0.77 ADAMTS5 (0.69) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL31121194 0.77 ADAMTS5 (0.69) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL23745413 0.77 ADAMTS5 (0.69) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL19691566 0.75 ADAMTS5 (0.81) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1

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
Send feedback