SCHEMBL13799682

SCHEMBL13799682

O=Cc1cc(S(=O)(=O)c2ccc(O)c(C=O)c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.56
PLCG1 P19174 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.49
CDK1 P06493 1/20 0.47
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45

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
SCHEMBL7842642 0.86 ALDH1A1 (0.55) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL29949354 0.86 ALDH1A1 (0.55) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL30254122 0.86 CA2 (0.57) ERN1PLCG1GAAMAPTCDK1
SCHEMBL9149620 0.84 ALDH1A1 (0.53) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL31347919 0.84 ERN1 (0.55) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL31347922 0.84 ERN1 (0.55) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL136274 0.84 ERN1 (0.53) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL5728774 0.84 ALDH1A1 (0.53) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL5728771 0.84 PLCG1 (0.69) ERN1PLCG1POLBCDK1TRIM24
SCHEMBL9149614 0.84 PLCG1 (0.69) ERN1PLCG1POLBCDK1TRIM24

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
WO-2009072002-A2 BISPHENOLS IN CANCER THERAPY UNIVERSITY OF MANITOBA (US) 2009-06-11 WO disclosed