SCHEMBL31440994

SCHEMBL31440994

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.54
KMT2A Q03164 2/20 0.51
MDM4 O15151 2/20 0.51
TP53 P04637 2/20 0.51
EPHX2 P34913 1/20 0.48
PIN1 Q13526 1/20 0.48
MDM2 Q00987 1/20 0.46

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
SCHEMBL26666635 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31369555 0.94 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31369958 0.94 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL20267094 0.93 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL20267095 0.93 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL24899351 0.92 CASP3 (0.48) CASP3KMT2AMDM4TP53MDM2
SCHEMBL31688935 0.92 CASP3 (0.48) CASP3KMT2AMDM4TP53MDM2
SCHEMBL30009709 0.92 CASP3 (0.48) CASP3KMT2AMDM4TP53MDM2
SCHEMBL20299865 0.92 CASP3 (0.48) CASP3KMT2AMDM4TP53MDM2
SCHEMBL20299866 0.92 CASP3 (0.48) CASP3KMT2AMDM4TP53MDM2

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-119677541-A Aromatic boron-containing compounds and related insulin analogues 原聚体科技公司 2025-03-21 CN disclosed