SCHEMBL14281155

SCHEMBL14281155

O=Cc1cc(/C=C/CO)cc(C=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 13/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ PIM1 P11309 1/20 0.35

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
SCHEMBL19976545 0.84 ERN1 (0.55) ERN1CYP3A4
SCHEMBL1488401 0.75 ERN1 (0.61) ERN1PIM1
SCHEMBL14281151 0.75 GABBR2 (0.53) ERN1ALDH1A1PIM1
SCHEMBL545383 0.74 OPRM1 (0.46) ERN1
SCHEMBL545384 0.74 OPRM1 (0.46) ERN1
SCHEMBL4631529 0.74 CYP3A4 (0.63) ALDH1A1CYP3A4RECQLPIM1
SCHEMBL4631536 0.74 CYP3A4 (0.63) ALDH1A1CYP3A4RECQLPIM1
SCHEMBL13231546 0.71 PTGS1 (0.53) ALDH1A1CYP3A4RECQL
SCHEMBL13583036 0.70 ALDH1A1 (0.52) ALDH1A1CYP3A4RECQL
SCHEMBL19411066 0.70 ERN1 (0.54) ERN1PIM1

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-20080058510-A1 ALTERING LIGNIN AND WOOD DENSITY ALELLYX S.A. 2008-03-06 — — US disclosed
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