SCHEMBL7645339

SCHEMBL7645339

COc1cc(C=O)cc(-c2cc(OC)cc(C=O)c2O)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 18/20 0.48
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41

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
SCHEMBL28282933 0.84 ERN1 (0.56) ERN1TRIM24TYRTRIM33
SCHEMBL7285302 0.78 ERN1 (0.62) ERN1TRIM24TYRTRIM33
SCHEMBL5192273 0.74 ERN1 (0.52) ERN1TRIM24TYRTRIM33
SCHEMBL2999528 0.74 ERN1 (0.54) ERN1TRIM24TYRTRIM33
SCHEMBL30753249 0.74 ESR2 (0.46) ERN1TRIM24TYRTRIM33
SCHEMBL27358886 0.74 ESR2 (0.46) ERN1TRIM24TYRTRIM33
SCHEMBL3645435 0.73 ERN1 (0.61) ERN1TRIM24TYRTRIM33
SCHEMBL28292328 0.73 ERN1 (0.61) ERN1TRIM24TYRTRIM33
SCHEMBL14536306 0.73 CYP2A6 (0.50) ERN1
SCHEMBL378297 0.73 CYP1A1 (0.58) ERN1TRIM24TYRTRIM33

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
US-6486359-B1 Catalyst comprising a complex of a metal of subgroup viii based on a phosphinite ligand, and a method for hydroformylation BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed