SCHEMBL3899644

SCHEMBL3899644

O=Cc1cc(Sc2ccc(O)c(C=O)c2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.55
CDK1 P06493 1/20 0.48
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ESR2 Q92731 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
SCHEMBL3902703 0.92 NR1H2 (0.52) ERN1CDK1TRIM24TRIM33ESR2
SCHEMBL7542850 0.91 BCL2 (0.50) ERN1CDK1TRIM24TRIM33
SCHEMBL16584979 0.85 MAOA (0.47) ERN1CDK1ESR2
SCHEMBL2641952 0.83 ERN1 (0.52) ERN1CDK1TRIM24TRIM33
SCHEMBL6094668 0.83 ERN1 (0.57) ERN1CDK1TRIM24TRIM33ESR2
SCHEMBL11114793 0.82 ERN1 (0.58) ERN1TRIM24TRIM33
SCHEMBL11214988 0.79 CDK1 (0.57) CDK1
SCHEMBL16555488 0.79 ERN1 (0.47) ERN1CDK1TRIM24TRIM33
SCHEMBL10916030 0.79 ERN1 (0.47) ERN1CDK1TRIM24TRIM33
SCHEMBL6206480 0.77 ERN1 (0.57) ERN1CDK1TRIM24TRIM33

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