SCHEMBL29825423

SCHEMBL29825423

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 17/20 0.60
▸ CASP1 P29466 1/20 0.56
▸ CASP7 P55210 1/20 0.54
▸ CASP9 P55211 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ CASP8 Q14790 1/20 0.54
▸ CTSK P43235 1/20 0.54

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
SCHEMBL24213871 0.93 CASP3 (0.56) CASP3CASP1CASP7CASP9CASP6
SCHEMBL14646635 0.93 CASP3 (0.56) CASP3CASP1CASP7CASP9CASP6
SCHEMBL17494194 0.93 CASP3 (0.56) CASP3CASP1CASP7CASP9CASP6
SCHEMBL9901045 0.89 CASP1 (0.56) CASP1CTSK
SCHEMBL29946174 0.89 CASP1 (0.56) CASP1CTSK
SCHEMBL29453232 0.88 MME (0.58) CASP3CASP1CTSK
SCHEMBL26071633 0.88 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL4466395 0.88 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL29384302 0.88 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL19067195 0.87 CASP1 (0.57) CASP1CTSK

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
CN-109010830-B Application of platelet related inhibitor in preparation of medicine for treating thrombocytopenia 苏州大学 2022-06-07 — — CN disclosed
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