SCHEMBL5570568

SCHEMBL5570568

CCCN1Cc2ccccc2C1(OCc1cc(OC)c(O)c(OC)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.62
MDM2 Q00987 7/20 0.62
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
OPRM1 P35372 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX5 P09917 1/20 0.35
CHRNA7 P36544 2/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL5573053 0.84 TP53 (0.46) TP53MDM2MAPTGAAKDM4E
SCHEMBL5573049 0.78 TP53 (0.51) TP53MDM2OPRM1
SCHEMBL4912373 0.77 TP53 (1.00) TP53MDM2
SCHEMBL4912370 0.77 TP53 (1.00) TP53MDM2
SCHEMBL18569316 0.73 MDM2 (0.87) TP53MDM2
SCHEMBL12085950 0.72 MDM2 (0.91) TP53MDM2
SCHEMBL5570570 0.72 TP53 (0.58) TP53MDM2OPRM1
SCHEMBL1821968 0.70 MDM2 (1.00) TP53MDM2
SCHEMBL29994301 0.70 MDM2 (1.00) TP53MDM2
SCHEMBL4914484 0.69 MDM2 (1.00) TP53MDM2ALDH1A1

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