SCHEMBL30851395

SCHEMBL30851395

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.53
▸ MDM4 O15151 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ TLR2 O60603 2/20 0.53
▸ MDM2 Q00987 5/20 0.52
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL8234371 0.89 CASP3 (0.55) CASP3MDM4TP53TLR2MDM2
SCHEMBL8227090 0.89 CASP3 (0.55) CASP3MDM4TP53TLR2MDM2
SCHEMBL16744152 0.89 CASP3 (0.55) CASP3MDM4TP53TLR2MDM2
SCHEMBL8249262 0.87 MDM4 (0.56) CASP3MDM4TP53TLR2MDM2
SCHEMBL31591664 0.87 MDM4 (0.56) CASP3MDM4TP53TLR2MDM2
SCHEMBL31037162 0.86 MDM4 (0.55) CASP3MDM4TP53TLR2MDM2
SCHEMBL30759499 0.86 MDM4 (0.55) CASP3MDM4TP53TLR2MDM2
SCHEMBL15586337 0.86 MDM4 (0.55) CASP3MDM4TP53TLR2MDM2
SCHEMBL20876850 0.86 MDM4 (0.55) CASP3MDM4TP53TLR2MDM2
SCHEMBL11885249 0.85 TLR2 (0.58) CASP3MDM4TP53TLR2MDM2

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-117813313-A Binding hepcidin mimetics 领导医疗有限公司 2024-04-02 — — CN disclosed
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