SCHEMBL30147576

SCHEMBL30147576

C[C@@H](O)[C@@H](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
SCHEMBL7822425 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31610887 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29908073 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29352152 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1486191 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119400 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1486209 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29477078 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL2551441 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL27843401 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2

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-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed