SCHEMBL24579233

SCHEMBL24579233

CC(C)CC(C(=O)NC(C)(C)C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CASP3 P42574 2/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ MDM4 O15151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ FABP7 O15540 1/20 0.36
▸ FABP5 Q01469 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
SCHEMBL29697651 1.00 CTSK (0.41) CTSKCTSLCTSBCTSSCASP3
SCHEMBL29696640 1.00 CTSK (0.41) CTSKCTSLCTSBCTSSCASP3
SCHEMBL24579232 1.00 CTSK (0.41) CTSKCTSLCTSBCTSSCASP3
SCHEMBL24579862 0.91 CTSL (0.39) CTSKCTSLCTSBCTSSCASP3
SCHEMBL29696661 0.88 CTSL (0.38) CTSKCTSLCTSBCTSSCASP3
SCHEMBL24580462 0.86 CTSL (0.36) CTSKCTSLCTSBCTSSCASP3
SCHEMBL24579259 0.86 CTSL (0.36) CTSKCTSLCTSBCTSSCASP3
SCHEMBL3728170 0.84 FABP5 (0.43) CTSKCTSLCTSBCTSSCASP3
SCHEMBL119027 0.84 FABP5 (0.43) CTSKCTSLCTSBCTSSCASP3
SCHEMBL30896130 0.84 FABP5 (0.43) CTSKCTSLCTSBCTSSCASP3

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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