SCHEMBL31013089

SCHEMBL31013089

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.54
▸ MDM4 O15151 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ TLR2 O60603 2/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 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
SCHEMBL34461958 1.00 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL20876881 1.00 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL34461960 1.00 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL15942924 1.00 MDM2 (0.54) MDM2MDM4TP53TLR2CASP3
SCHEMBL2198517 0.99 MDM2 (0.53) MDM2MDM4TP53TLR2CASP3
SCHEMBL34461962 0.99 MDM2 (0.53) MDM2MDM4TP53TLR2CASP3
SCHEMBL20876827 0.99 MDM2 (0.53) MDM2MDM4TP53TLR2CASP3
SCHEMBL34461955 0.99 MDM2 (0.53) MDM2MDM4TP53TLR2CASP3
SCHEMBL31013147 0.99 MDM2 (0.53) MDM2MDM4TP53TLR2CASP3
SCHEMBL34461957 0.99 MDM2 (0.53) MDM2MDM4TP53TLR2CASP3

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-111051332-B Immunomodulators 百时美施贵宝公司 2024-09-06 — — CN disclosed
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