SCHEMBL19015919

SCHEMBL19015919

C=CCOC(=O)CNC(=O)C(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC=O)C1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.39
▸ CASP1 P29466 7/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ USP2 O75604 3/20 0.33
▸ REN P00797 2/20 0.32
▸ CACNA1B Q00975 1/20 0.31
▸ METAP1 P53582 1/20 0.31

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
SCHEMBL19015914 0.86 CASP3 (0.52) CASP3CASP1CASP7
SCHEMBL7888466 0.86 CASP3 (0.52) CASP3CASP1CASP7
SCHEMBL19015892 0.80 CASP3 (0.37) CASP3CASP1CASP7USP2CACNA1B
SCHEMBL7890373 0.79 CASP3 (0.59) CASP3CASP1CASP7REN
SCHEMBL19015896 0.78 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL19015773 0.77 CASP3 (0.37) CASP3CASP1CASP7
SCHEMBL7877666 0.75 CASP3 (0.54) CASP3CASP1CASP7
SCHEMBL7887265 0.74 CASP3 (0.61) CASP3CASP1CASP7
SCHEMBL9961904 0.74 CASP3 (0.61) CASP3CASP1CASP7
SCHEMBL18471338 0.74 CASP3 (0.61) CASP3CASP1CASP7

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-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
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