SCHEMBL31068390

SCHEMBL31068390

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ EPHX2 P34913 1/20 0.50
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PIN1 Q13526 1/20 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
SCHEMBL3269193 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL13452269 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29952701 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL5021152 1.00 CASP3 (0.56) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15382522 0.88 CASP3 (0.55) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL15929330 0.87 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL14581384 0.87 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29445597 0.87 CASP3 (0.54) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL2625076 0.86 KMT2A (0.58) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL31453048 0.86 CASP3 (0.53) 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
CN-118255678-B Ionizable lipid compound and application thereof 荣灿生物医药技术(上海)有限公司 2024-12-24 — — CN disclosed
CN-118255678-A Ionizable lipid compound and application thereof 荣灿生物医药技术(上海)有限公司 2024-06-28 — — CN disclosed
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