SCHEMBL23745300

SCHEMBL23745300

O=C(CC[C@@]1(C2CC2)NC(O)NC1=O)N1CCc2ccc(F)cc2CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.49
▸ MMP2 P08253 5/20 0.49
▸ ADAMTS4 O75173 2/20 0.46
▸ MMP13 P45452 2/20 0.45
▸ ADAM17 P78536 1/20 0.41
▸ MMP14 P50281 1/20 0.41

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
SCHEMBL23745296 0.84 ADAMTS5 (0.68) ADAMTS5MMP2ADAMTS4MMP13ADAM17
SCHEMBL25948111 0.76 ADAMTS5 (0.70) ADAMTS5MMP2ADAMTS4MMP13ADAM17
SCHEMBL23745366 0.76 ADAMTS5 (0.46) ADAMTS5MMP2ADAMTS4MMP13ADAM17
SCHEMBL23745423 0.76 ADAMTS5 (0.44) ADAMTS5MMP2ADAMTS4MMP13ADAM17
SCHEMBL23745378 0.76 ADAMTS5 (0.46) ADAMTS5MMP2ADAMTS4MMP13ADAM17
SCHEMBL23745230 0.74 ADAMTS5 (0.37) ADAMTS5MMP2ADAMTS4MMP13ADAM17
SCHEMBL21693595 0.72 ADAMTS5 (0.75) ADAMTS5MMP2ADAMTS4MMP13MMP14
SCHEMBL23745364 0.72 ADAMTS5 (0.40) ADAMTS5MMP2ADAMTS4MMP13ADAM17
SCHEMBL23745361 0.71 ADAMTS5 (0.69) ADAMTS5MMP2ADAMTS4MMP13ADAM17
SCHEMBL31121173 0.71 ADAMTS4 (0.70) ADAMTS5MMP2ADAMTS4MMP13ADAM17

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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