SCHEMBL24580456

SCHEMBL24580456

CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(c1ccccc1)(c1ccc(C2CCCCCCCC2)cc1)c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 2/20 0.36
▸ FABP5 Q01469 2/20 0.36
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ FFAR2 O15552 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL24580458 1.00 FABP7 (0.36) FABP7FABP5MDM4TP53KMT2A
SCHEMBL24579138 0.86 KMT2A (0.39) FABP7FABP5MDM4TP53KMT2A
SCHEMBL24579231 0.85 CASP3 (0.37) FABP7FABP5MDM4TP53KIF11
SCHEMBL24580496 0.84 CASP3 (0.32) FABP7FABP5MDM4TP53CASP3
SCHEMBL25658804 0.84 KMT2A (0.44) FABP7FABP5MDM4TP53KMT2A
SCHEMBL25658800 0.84 KMT2A (0.44) FABP7FABP5MDM4TP53KMT2A
SCHEMBL25658818 0.84 KMT2A (0.44) FABP7FABP5MDM4TP53KMT2A
SCHEMBL23156981 0.84 KMT2A (0.44) FABP7FABP5MDM4TP53KMT2A
SCHEMBL25846311 0.84 KMT2A (0.37) FABP7FABP5MDM4TP53KMT2A
SCHEMBL23056431 0.84 CASP3 (0.38) FABP7FABP5MDM4TP53FFAR2

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
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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