SCHEMBL30055032

SCHEMBL30055032

CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CASP3 P42574 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MDM2 Q00987 2/20 0.44
▸ PIN1 Q13526 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ TLR2 O60603 1/20 0.43

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
SCHEMBL25182057 0.88 CASP3 (0.53) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29709555 0.88 CASP3 (0.53) MDM4TP53CASP3KMT2AMDM2
SCHEMBL24414068 0.88 CASP3 (0.53) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29855001 0.87 CASP3 (0.52) MDM4TP53CASP3KMT2AMDM2
SCHEMBL15083245 0.87 CASP3 (0.52) MDM4TP53CASP3KMT2AMDM2
SCHEMBL14751345 0.87 MDM4 (0.47) MDM4TP53CASP3KMT2AMDM2
SCHEMBL18016104 0.87 MDM4 (0.47) MDM4TP53CASP3KMT2AMDM2
SCHEMBL16289027 0.87 CASP3 (0.52) MDM4TP53CASP3KMT2AMDM2
SCHEMBL30278741 0.87 CASP3 (0.52) MDM4TP53CASP3KMT2AMDM2
SCHEMBL14459910 0.86 MDM4 (0.46) MDM4TP53CASP3KMT2AMDM2

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-2022234852-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND 中外製薬株式会社 2022-11-10 — — WO disclosed
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