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Sugi Predict / Compounds / SCHEMBL24201191

SCHEMBL24201191

SCHEMBL24201191

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CCCC(=O)N(C)[C@@H](CC1=CC=CCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.39
▸ PIN1 Q13526 1/20 0.35
▸ TLR2 O60603 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MDM4 O15151 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ MDM2 Q00987 1/20 0.32

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
SCHEMBL29670356 0.87 CASP3 (0.43) CASP3PIN1TLR2KMT2AMDM4
SCHEMBL22457549 0.87 CASP3 (0.43) CASP3PIN1TLR2KMT2AMDM4
SCHEMBL29670259 0.79 KMT2A (0.53) CASP3PIN1TLR2KMT2AMDM4
SCHEMBL24201042 0.76 CASP3 (0.55) CASP3PIN1KMT2AMDM4TP53
SCHEMBL29670207 0.75 CASP3 (0.49) CASP3PIN1KMT2AMDM4TP53
SCHEMBL22457550 0.73 CASP3 (0.44) CASP3PIN1KMT2AMDM4TP53
SCHEMBL29670125 0.73 CASP3 (0.52) CASP3PIN1KMT2AMDM4TP53
SCHEMBL29670299 0.72 CASP3 (0.51) CASP3TLR2KMT2AMDM4TP53
SCHEMBL29670411 0.72 ITGB3 (0.41) CASP3KMT2A
SCHEMBL22457542 0.72 CASP3 (0.55) CASP3PIN1KMT2AMDM4TP53

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