SCHEMBL31196974

SCHEMBL31196974

NC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 2/20 0.49
▸ PRCP P42785 1/20 0.46
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ TLR2 O60603 2/20 0.42
▸ CMA1 P23946 2/20 0.40
▸ CTRC Q99895 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ MDM2 Q00987 4/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL30585183 0.86 CTRB1 (0.45) FDFT1PRCPMDM4TP53TLR2
SCHEMBL29706288 0.84 CTRB1 (0.55) FDFT1MDM4TP53CTRB1
SCHEMBL29859475 0.83 PTPN1 (0.50) FDFT1PRCPMDM4TP53TLR2
SCHEMBL31500760 0.81 PRCP (0.51) FDFT1PRCPMDM4TP53TLR2
SCHEMBL29682425 0.79 MDM4 (0.56) MDM4TP53TLR2MDM2PTPN1
SCHEMBL800090 0.79 MDM4 (0.56) MDM4TP53TLR2MDM2PTPN1
SCHEMBL29401101 0.79 MDM4 (0.56) MDM4TP53TLR2MDM2PTPN1
SCHEMBL5182292 0.79 MDM4 (0.56) MDM4TP53TLR2MDM2PTPN1
SCHEMBL29908079 0.79 MDM4 (0.56) MDM4TP53TLR2MDM2PTPN1
SCHEMBL29352431 0.79 MDM4 (0.56) MDM4TP53TLR2MDM2PTPN1

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-119143836-A Polypeptide cyclization method 广州医科大学 2024-12-17 — — CN disclosed
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