SCHEMBL29997540

SCHEMBL29997540

COC(=O)[C@@H](NC(=O)c1ccc(C#CC#C[C@H]2CCC[C@@H]2OC)cc1)C(C)(C)N

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.34
▸ ACACB O00763 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ CTSG P08311 1/20 0.31
▸ CTRB1 P17538 1/20 0.31
▸ CMA1 P23946 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31
▸ MMP2 P08253 1/20 0.30

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
SCHEMBL24234516 0.91 — —
SCHEMBL26798197 0.89 MMP13 (0.33) MMP13ACACBALDH1A1L3MBTL1PRSS1
SCHEMBL24234513 0.86 MMP13 (0.32) MMP13ACACB
SCHEMBL13832382 0.82 ACACB (0.33) MMP13ACACBALDH1A1L3MBTL1P2RY6
SCHEMBL13831123 0.82 ACACB (0.33) MMP13ACACBALDH1A1L3MBTL1P2RY6
SCHEMBL16840448 0.81 MMP13 (0.33) MMP13ACACBALDH1A1L3MBTL1PRSS1
Hydrochloric Acid SCHEMBL13739441 0.81 ACACB (0.32) MMP13ACACBALDH1A1L3MBTL1P2RY6
Hydrochloric Acid SCHEMBL13739442 0.81 ACACB (0.32) MMP13ACACBALDH1A1L3MBTL1P2RY6
Hydrochloric Acid SCHEMBL13738426 0.81 ACACB (0.32) MMP13ACACBALDH1A1L3MBTL1P2RY6
Hydrochloric Acid SCHEMBL13738425 0.81 ACACB (0.32) MMP13ACACBALDH1A1L3MBTL1P2RY6

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
EP-4071134-A1 HYDROXAMIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2022-10-12 — — EP disclosed
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