SCHEMBL29129262

SCHEMBL29129262

C#CC[C@H](CC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.41
▸ FABP7 O15540 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ MDM4 O15151 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL28773045 1.00 CASP3 (0.41) CASP3FABP7FABP5MDM4TP53
SCHEMBL25657670 0.95 CASP3 (0.39) CASP3FABP7FABP5MDM4TP53
SCHEMBL25658621 0.91 CASP3 (0.35) CASP3FABP7FABP5MDM4TP53
SCHEMBL28773163 0.89 CASP3 (0.42) CASP3FABP7FABP5MDM4TP53
SCHEMBL28773162 0.89 CASP3 (0.42) CASP3FABP7FABP5MDM4TP53
SCHEMBL28773146 0.88 CASP3 (0.40) CASP3FABP7FABP5MDM4TP53
SCHEMBL28773165 0.88 CASP3 (0.41) CASP3FABP7FABP5MDM4TP53
SCHEMBL28773143 0.88 CASP3 (0.40) CASP3FABP7FABP5MDM4TP53
SCHEMBL28773107 0.86 CASP3 (0.44) CASP3FABP7FABP5MDM4TP53
SCHEMBL26666846 0.86 CASP3 (0.44) CASP3FABP7FABP5MDM4TP53

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-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 — — CN disclosed
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