SCHEMBL3554507

SCHEMBL3554507

Bc1cc(C)cc(C=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.72
SRC P12931 2/20 0.47
PIM1 P11309 1/20 0.36
GRK6 P43250 1/20 0.36
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36

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
SCHEMBL546033 0.84 ERN1 (1.00) ERN1SRCPIM1SELLSELP
SCHEMBL5031416 0.82 ERN1 (0.95) ERN1SRCPIM1SELLSELP
SCHEMBL3982574 0.78 ERN1 (0.78) ERN1SRCPIM1SELLSELP
SCHEMBL29957335 0.78 ERN1 (0.78) ERN1SRCPIM1SELLSELP
SCHEMBL2788053 0.78 ERN1 (0.78) ERN1SRCPIM1SELLSELP
SCHEMBL11408969 0.77 ERN1 (0.75) ERN1SRCPIM1SELLSELP
SCHEMBL13342004 0.77 SELL (0.50) ERN1SELLSELPSELE
SCHEMBL9621407 0.75 ERN1 (0.72) ERN1SRC
SCHEMBL11798787 0.75 ERN1 (0.72) ERN1SRCPIM1GRK6SELL
SCHEMBL13855816 0.75 ERN1 (0.72) ERN1

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
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed