SCHEMBL19944916

SCHEMBL19944916

CS(=O)(=O)C#C[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.49
▸ PTPN1 P18031 4/20 0.44
▸ TLR2 O60603 4/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL20356115 0.85 CASP3 (0.49) CASP3PTPN1TLR2KMT2A
SCHEMBL19944566 0.82 CASP3 (0.72) CASP3PTPN1TLR2
SCHEMBL20356092 0.82 PTPN1 (0.46) CASP3PTPN1KMT2A
SCHEMBL30429101 0.81 KMT2A (0.56) CASP3PTPN1TLR2KMT2A
SCHEMBL29661423 0.77 KMT2A (0.58) CASP3PTPN1TLR2KMT2A
SCHEMBL31315496 0.77 KMT2A (0.58) CASP3TLR2KMT2A
SCHEMBL24401717 0.76 KMT2A (0.55) CASP3PTPN1TLR2KMT2A
SCHEMBL2242449 0.76 KMT2A (0.55) CASP3PTPN1TLR2KMT2A
SCHEMBL28607748 0.76 KMT2A (0.55) CASP3PTPN1TLR2KMT2A
SCHEMBL30987800 0.76 KMT2A (0.55) CASP3PTPN1TLR2KMT2A

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-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 — — EP disclosed
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