SCHEMBL24201042

SCHEMBL24201042

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.55
KMT2A Q03164 2/20 0.51
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PIN1 Q13526 1/20 0.43
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
PTPN1 P18031 2/20 0.42
EPHX2 P34913 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
SCHEMBL29670259 0.95 KMT2A (0.53) CASP3KMT2ACTSLCTSBCTSS
SCHEMBL29670306 0.90 CASP3 (0.55) CASP3KMT2ACTSLCTSBCTSS
SCHEMBL22457542 0.90 CASP3 (0.55) CASP3KMT2ACTSLCTSBCTSS
SCHEMBL22457339 0.87 CASP3 (0.45) CASP3KMT2ACTSLCTSBCTSS
SCHEMBL29670299 0.85 CASP3 (0.51) CASP3KMT2AMDM4TP53PTPN1
SCHEMBL22457550 0.84 CASP3 (0.44) CASP3KMT2APIN1MDM4TP53
SCHEMBL3735847 0.84 CASP3 (0.57) CASP3KMT2APIN1MDM4TP53
SCHEMBL29670125 0.83 CASP3 (0.52) CASP3KMT2ACTSLCTSBCTSS
SCHEMBL799720 0.83 CASP3 (0.60) CASP3KMT2APIN1MDM4TP53
SCHEMBL120703 0.83 CASP3 (0.60) CASP3KMT2APIN1MDM4TP53

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-3939959-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND Nissan Chemical Corporation (JP) 2022-01-19 EP disclosed