SCHEMBL29250239

SCHEMBL29250239

C[C@H]1c2cc(Cl)c(Cl)cc2CN1C(=O)CCC1(C2CC2)NC(=O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.54
▸ MMP2 P08253 4/20 0.54
▸ MMP13 P45452 3/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ ADAM17 P78536 5/20 0.52
▸ ADAMTS4 O75173 3/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP12 P39900 1/20 0.49
▸ ADAMTS1 Q9UHI8 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
SCHEMBL23745336 1.00 ADAMTS5 (0.54) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL29835144 1.00 ADAMTS5 (0.54) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL29835174 1.00 ADAMTS5 (0.54) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL29250240 1.00 ADAMTS5 (0.54) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL23745213 1.00 ADAMTS5 (0.54) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL23745335 1.00 ADAMTS5 (0.54) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL29835131 1.00 ADAMTS5 (0.54) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL23745293 0.91 ADAMTS5 (0.48) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL23745289 0.91 ADAMTS5 (0.48) ADAMTS5MMP2MMP13MMP14ADAM17
SCHEMBL23727429 0.91 ADAMTS5 (0.48) ADAMTS5MMP2MMP13MMP14ADAM17

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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