SCHEMBL6645263

SCHEMBL6645263

COC(=O)/C=C/c1ccc(NC(C)=O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.65
FDPS P14324 1/20 0.60
KDM4E B2RXH2 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
HTT P42858 3/20 0.59
GAA P10253 2/20 0.59
JAK2 O60674 1/20 0.59
APP P05067 3/20 0.54
TTR P02766 1/20 0.54
NFE2L2 Q16236 3/20 0.52
HSD17B2 P37059 2/20 0.52
HSD17B1 P14061 1/20 0.52
RELA Q04206 3/20 0.52
PTPN1 P18031 1/20 0.51
HSD17B10 Q99714 3/20 0.50
CYP2D6 P10635 3/20 0.50
NFKB1 P19838 3/20 0.50
CYP2C9 P11712 2/20 0.50

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
SCHEMBL6645267 1.00 EPHX2 (0.65) EPHX2FDPSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6646569 0.89 KDM4E (0.66) EPHX2KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL6646570 0.89 KDM4E (0.66) EPHX2KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL6640602 0.82 ALDH1A1 (0.56) FDPSSMN1; SMN2ALDH1A1MAPTHSD17B2
Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL2411956 0.82 FDPS (0.80) EPHX2FDPSKDM4ESMN1; SMN2ALDH1A1
Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL2411955 0.82 FDPS (0.80) EPHX2FDPSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19783035 0.81 CXCL12 (0.68) MAPTRELACYP2D6CYP2C9CA1
Methyl Cis-Ferulate SCHEMBL510492 0.79 EPHX2 (1.00) EPHX2FDPSKDM4EALDH1A1MAPT
Methyl Cis-Ferulate SCHEMBL2085720 0.79 EPHX2 (1.00) EPHX2FDPSKDM4EALDH1A1MAPT
Methyl Cis-Ferulate SCHEMBL29406729 0.79 EPHX2 (1.00) EPHX2FDPSKDM4EALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed