SCHEMBL7592482

SCHEMBL7592482

CC(C)(C)SSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.OC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SLC17A5 Q9NRA2 1/20 0.46
▸ TLR2 O60603 4/20 0.45
▸ CASP3 P42574 2/20 0.44
▸ MDM2 Q00987 3/20 0.41
▸ FDFT1 P37268 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
SCHEMBL1739174 0.90 MDM4 (0.54) MDM4TP53SLC17A5TLR2CASP3
SCHEMBL10020438 0.90 MDM4 (0.54) MDM4TP53SLC17A5TLR2CASP3
SCHEMBL31197005 0.84 MDM4 (0.54) MDM4TP53SLC17A5TLR2CASP3
SCHEMBL13253077 0.83 CASP3 (0.48) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL16288088 0.82 PTPN1 (0.48) MDM4TP53SLC17A5CASP3
SCHEMBL29540266 0.82 PTPN1 (0.48) MDM4TP53SLC17A5CASP3
SCHEMBL27222134 0.82 PTPN1 (0.48) MDM4TP53SLC17A5CASP3
SCHEMBL6517147 0.81 CASP3 (0.47) MDM4TP53SLC17A5CASP3
SCHEMBL27129147 0.81 MDM4 (0.49) MDM4TP53SLC17A5CASP3MDM2
SCHEMBL27008576 0.81 MDM4 (0.49) MDM4TP53SLC17A5CASP3MDM2

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
EP-1207909-A2 METHOD FOR COUPLING MOLECULES MEDICAL RESEARCH COUNCIL (GB) 2002-05-29 — — EP disclosed
WO-2001015737-A2 METHOD FOR COUPLING MOLECULES MEDICAL RESEARCH COUNCIL (GB) 2001-03-08 — — WO disclosed
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