SCHEMBL30844622

SCHEMBL30844622

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.45
CASP3 P42574 2/20 0.44
KMT2A Q03164 1/20 0.41
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL31591448 1.00 TLR2 (0.45) TLR2CASP3KMT2AMDM4TP53
SCHEMBL24477049 0.88 CASP3 (0.47) CASP3KMT2AMDM4TP53
SCHEMBL31591450 0.87 CASP3 (0.46) CASP3KMT2AMDM4TP53
SCHEMBL30844647 0.87 CASP3 (0.46) CASP3KMT2AMDM4TP53
SCHEMBL30844625 0.87 CASP3 (0.55) TLR2CASP3KMT2A
SCHEMBL23795234 0.87 CASP3 (0.55) TLR2CASP3KMT2A
SCHEMBL23795235 0.87 CASP3 (0.55) TLR2CASP3KMT2A
SCHEMBL599941 0.87 CASP3 (0.45) CASP3KMT2AMDM4TP53
SCHEMBL1959804 0.86 CASP3 (0.48) CASP3KMT2AMDM4TP53
SCHEMBL29400295 0.86 CASP3 (0.48) CASP3KMT2AMDM4TP53

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-112969683-B Process for the preparation of O-substituted serine derivatives 中外制药株式会社 2024-05-14 CN disclosed