SCHEMBL3626977

SCHEMBL3626977

CCCCOc1cc(/C=C(/OC)C(=O)O)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.47
TOP2A P11388 2/20 0.47
STK17B O94768 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HTR1A P08908 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALPI P09923 2/20 0.44
ALPG P10696 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.44
PRKCE Q02156 2/20 0.43
PRKCQ Q04759 2/20 0.43
PRKCD Q05655 2/20 0.43
APP P05067 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C19 P33261 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
SCHEMBL2897275 1.00 SMPD1 (0.47) SMPD1TOP2ASTK17BALDH1A1HTR1A
SCHEMBL2897269 1.00 SMPD1 (0.47) SMPD1TOP2ASTK17BALDH1A1HTR1A
SCHEMBL13028723 0.90 MAPT (0.50) SMPD1TOP2ASTK17BALDH1A1HTR1A
SCHEMBL3642079 0.89 ALDH1A1 (0.48) SMPD1TOP2ASTK17BALDH1A1HTR1A
SCHEMBL3642081 0.89 ALDH1A1 (0.48) SMPD1TOP2ASTK17BALDH1A1HTR1A
SCHEMBL3642083 0.89 ALDH1A1 (0.48) SMPD1TOP2ASTK17BALDH1A1HTR1A
SCHEMBL3632523 0.86 KDM4E (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3632799 0.86 KDM4E (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3632522 0.86 KDM4E (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10632110 0.84 STK17B (0.48) SMPD1TOP2ASTK17BALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146954-B1 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RES & DEV (FR) 2012-10-31 EP claimed
EP-2146954-A2 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID Galderma Research & Development (FR) 2010-01-27 EP claimed
WO-2008139121-A2 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-20 WO claimed
EP-2146954-B1 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RES & DEV (FR) 2012-10-31 EP disclosed
EP-2146954-A2 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID Galderma Research & Development (FR) 2010-01-27 EP disclosed
WO-2008139121-A2 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-20 WO disclosed