SCHEMBL29401028

SCHEMBL29401028

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.61
KMT2A Q03164 2/20 0.52
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
EPHX2 P34913 1/20 0.47
MDM2 Q00987 2/20 0.45

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
SCHEMBL31045969 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3201847 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119533 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119762 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL377860 0.91 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL799714 0.89 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119195 0.89 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL6795994 0.88 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25262884 0.88 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL14024234 0.88 CASP3 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455234-B1 SECO MACROLIDE COMPOUNDS SELVITA D O O (HR) 2026-04-01 EP disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed