SCHEMBL5573049

SCHEMBL5573049

CCCN1Cc2ccccc2C1(OCc1ccc(C(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 12/20 0.51
MDM2 Q00987 12/20 0.51
OPRM1 P35372 1/20 0.39

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
SCHEMBL5570568 0.78 TP53 (0.62) TP53MDM2OPRM1
SCHEMBL4914450 0.76 TP53 (0.80) TP53MDM2
SCHEMBL4914455 0.76 TP53 (0.80) TP53MDM2
SCHEMBL18569134 0.76 TP53 (0.64) TP53MDM2
SCHEMBL5573118 0.69 TP53 (0.35) TP53MDM2OPRM1
SCHEMBL4907760 0.69 MDM2 (0.82) TP53MDM2
SCHEMBL4907765 0.69 MDM2 (0.82) TP53MDM2
SCHEMBL5573072 0.68 OPRM1 (0.51) MDM2OPRM1
SCHEMBL5570570 0.68 TP53 (0.58) TP53MDM2OPRM1
SCHEMBL5570564 0.67 TP53 (0.40) TP53MDM2

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-1786773-A1 ISOINDOLIN-1-ONE DERIVATIVES Cancer Research Technology Limited (GB) 2007-05-23 EP disclosed
WO-2006024837-A1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-09 WO disclosed