SCHEMBL29835150

SCHEMBL29835150

O=C1NC(=O)[C@](CCC(=O)N2Cc3ccc(OC(F)(F)F)cc3C2)(C2CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.53
▸ ADAMTS4 O75173 3/20 0.53
▸ MMP13 P45452 3/20 0.52
▸ ADAM17 P78536 2/20 0.51
▸ MMP2 P08253 4/20 0.50
▸ ADAMTS1 Q9UHI8 1/20 0.50

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
SCHEMBL23727305 1.00 ADAMTS5 (0.53) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL23727306 1.00 ADAMTS5 (0.53) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL23745358 0.87 ADAMTS4 (0.67) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL29250257 0.85 ADAMTS5 (0.55) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL29835134 0.85 ADAMTS5 (0.55) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL23745214 0.85 ADAMTS5 (0.55) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL23745412 0.84 ADAMTS5 (0.65) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL29835210 0.83 ADAMTS5 (0.53) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL23745206 0.83 ADAMTS5 (0.53) ADAMTS5ADAMTS4MMP13ADAM17MMP2
SCHEMBL23745406 0.82 ADAMTS5 (0.66) ADAMTS5ADAMTS4MMP13ADAM17MMP2

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
CN-115052596-A ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-09-13 — — CN disclosed
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