SCHEMBL5509908

SCHEMBL5509908

C=CC(=O)Nc1c(OC)cc(OC)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.56
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ACAT1 P24752 1/20 0.46
SOAT1 P35610 1/20 0.46
PSMB11 A5LHX3 1/20 0.43
PSMA7 O14818 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMA1 P25786 1/20 0.43
PSMA2 P25787 1/20 0.43
PSMA3 P25788 1/20 0.43
PSMA4 P25789 1/20 0.43
PSMB8 P28062 1/20 0.43
PSMB9 P28065 1/20 0.43
PSMA5 P28066 1/20 0.43
PSMB4 P28070 1/20 0.43

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
SCHEMBL20194447 0.84 CYP3A4 (0.54) CYP3A4KDM4ETP53MAPTALOX15
SCHEMBL7959789 0.80 CYP3A4 (0.49) CYP3A4KDM4ETP53MAPTALOX15
SCHEMBL18415560 0.80 MAPT (0.51) CYP3A4KDM4ETP53MAPTALOX15
SCHEMBL28102499 0.79 GAA (0.69) TGM2KDM4EMAPTTSHRGAA
SCHEMBL5041890 0.79 TGM2 (0.69) TGM2CYP3A4TP53MAPTTSHR
SCHEMBL3701198 0.79 KDM4E (0.46) CYP3A4KDM4ETP53MAPTALOX15
SCHEMBL7959792 0.78 MAPT (0.50) CYP3A4KDM4ETP53MAPTALOX15
SCHEMBL9641181 0.77 CYP3A4 (0.49) CYP3A4KDM4ETP53MAPTALOX15
SCHEMBL28835016 0.76 NPSR1 (0.63) TGM2TP53MAPTGAAALDH1A1
SCHEMBL14431056 0.75 PSMB11 (0.41) TGM2CYP3A4PSMB11PSMA7PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539675-A4 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2007-07-11 EP disclosed
EP-1539675-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2005-06-15 EP disclosed
WO-2004037751-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-05-06 WO disclosed