SCHEMBL30802567

SCHEMBL30802567

C[C@@](Cc1ccccc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ EPHX2 P34913 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ FABP5 Q01469 2/20 0.43
▸ FABP7 O15540 1/20 0.43
▸ ENPEP Q07075 1/20 0.41

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
SCHEMBL29855073 1.00 KMT2A (0.49) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL18237209 1.00 KMT2A (0.49) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL12297754 1.00 KMT2A (0.49) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL31195699 1.00 KMT2A (0.49) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL12568253 0.93 KMT2A (0.46) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL32683646 0.92 KMT2A (0.45) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL18614206 0.92 KMT2A (0.45) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL20338593 0.92 KMT2A (0.45) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL12297763 0.91 MDM2 (0.46) KMT2AEPHX2ITGB3ITGA2BCASP3
SCHEMBL25362440 0.90 ITGB3 (0.45) KMT2AEPHX2ITGB3ITGA2BCASP3

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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