SCHEMBL14281151

SCHEMBL14281151

O=C/C=C/c1cc(C=O)c(O)c(C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 1/20 0.53
▸ GABBR1 Q9UBS5 1/20 0.53
▸ ERN1 O75460 9/20 0.50
▸ XDH P47989 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CDK4 P11802 2/20 0.47
▸ CCND1 P24385 2/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ TRPA1 O75762 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PIM1 P11309 1/20 0.37
▸ MMP2 P08253 1/20 0.37

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
SCHEMBL14281153 0.90 XDH (0.53) GABBR2GABBR1ERN1XDHALDH1A1
SCHEMBL1488401 0.79 ERN1 (0.61) ERN1XDHKDM4EPIM1
SCHEMBL5849926 0.77 XDH (0.63) GABBR2GABBR1XDHALDH1A1KDM4E
SCHEMBL14281155 0.75 ERN1 (0.47) ERN1ALDH1A1PIM1
SCHEMBL9163894 0.75 CCNB2 (0.63) GABBR2GABBR1XDHALDH1A1KDM4E
SCHEMBL27732166 0.74 CYP2C9 (0.59) GABBR2GABBR1XDHALDH1A1KDM4E
SCHEMBL19473603 0.74 CYP2C9 (0.59) GABBR2GABBR1XDHALDH1A1KDM4E
SCHEMBL12686079 0.72 ERN1 (0.58) ERN1PIM1
SCHEMBL23796520 0.71 ERN1 (0.64) ERN1PIM1
SCHEMBL20806244 0.71 ERN1 (0.64) 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
US-20080058510-A1 ALTERING LIGNIN AND WOOD DENSITY ALELLYX S.A. 2008-03-06 — — US disclosed
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