SCHEMBL30851391

SCHEMBL30851391

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 7/20 0.54
▸ MDM4 O15151 3/20 0.53
▸ TP53 P04637 3/20 0.53
▸ CASP3 P42574 2/20 0.51
▸ TLR2 O60603 2/20 0.51
▸ 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
SCHEMBL34461963 1.00 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL20529763 1.00 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL20876883 1.00 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL1272388 1.00 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL15942924 0.97 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL20876881 0.97 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL34461960 0.97 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL34461958 0.97 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL31013089 0.97 MDM2 (0.54) MDM2MDM4TP53CASP3TLR2
SCHEMBL20876827 0.96 MDM2 (0.53) MDM2MDM4TP53CASP3TLR2

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-111051332-B Immunomodulators 百时美施贵宝公司 2024-09-06 — — CN disclosed
CN-117813313-A Binding hepcidin mimetics 领导医疗有限公司 2024-04-02 — — CN disclosed
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