SCHEMBL31453048

SCHEMBL31453048

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.53
▸ KMT2A Q03164 2/20 0.50
▸ EPHX2 P34913 1/20 0.47
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ PIN1 Q13526 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
SCHEMBL15223382 1.00 CASP3 (0.53) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29445597 0.91 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL14581384 0.91 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15929330 0.91 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL13652772 0.88 CASP3 (0.51) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29445616 0.88 CASP3 (0.51) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL13452269 0.86 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL31068390 0.86 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL3269193 0.86 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL5021152 0.86 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53

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
WO-2025019172-A1 ANTIMICROBIAL EXTRACTANT FORMED FROM COPPER-CONTAINING SOURCE CORNING INCORPORATED (US) 2025-01-23 — — WO claimed
WO-2025019172-A1 ANTIMICROBIAL EXTRACTANT FORMED FROM COPPER-CONTAINING SOURCE CORNING INCORPORATED (US) 2025-01-23 — — WO disclosed
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