SCHEMBL29892083

SCHEMBL29892083

CC(C)(C)OP(=O)(OCN1C(=O)NC(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)C1=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.34
▸ MMP13 P45452 3/20 0.34
▸ MMP2 P08253 4/20 0.33
▸ ADAM17 P78536 4/20 0.33
▸ ADAMTS4 O75173 4/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ ADAMTS1 Q9UHI8 1/20 0.32

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
SCHEMBL24729211 0.90 ADAMTS5 (0.36) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL29892226 0.90 ADAMTS5 (0.36) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL29892549 0.90 ADAMTS5 (0.36) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL29893273 0.86 ADAMTS5 (0.35) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL24728831 0.86 ADAMTS5 (0.35) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL24728789 0.83 ADAMTS5 (0.34) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL24728792 0.83 ADAMTS5 (0.34) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL24728790 0.82 ADAMTS5 (0.37) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL29116573 0.82 ADAMTS5 (0.37) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL24728791 0.79 ADAMTS5 (0.33) ADAMTS5MMP13MMP2ADAM17ADAMTS4

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-2022212638-A1 PRODRUGS OF ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2022-10-06 — — WO disclosed
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