SCHEMBL1416626

SCHEMBL1416626

CC/C=C\CCCCOC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.51
LPAR3 Q9UBY5 3/20 0.51
LPAR1 Q92633 1/20 0.51
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
NR1I2 O75469 2/20 0.46
PTGS2 P35354 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
PGR P06401 1/20 0.46
PDE4D Q08499 1/20 0.46
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
CYP19A1 P11511 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL1416629 1.00 LPAR2 (0.51) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL1416796 0.98 LPAR2 (0.54) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL1416611 0.98 LPAR2 (0.54) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL16244148 0.94 ADORA3 (0.51) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL1416733 0.93 ALDH1A1 (0.58) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL1416732 0.93 ALDH1A1 (0.58) LPAR2LPAR3LPAR1ALDH1A1CYP3A4
SCHEMBL4177621 0.87 FAAH (0.61) CYP3A4ALOX15HSD17B10KMT2AMAPT
SCHEMBL4177624 0.87 FAAH (0.61) CYP3A4ALOX15HSD17B10KMT2AMAPT
SCHEMBL1416574 0.87 FAAH (0.61) CYP3A4ALOX15HSD17B10KMT2AMAPT
SCHEMBL11393684 0.87 FAAH (0.56) LPAR2LPAR3LPAR1CYP3A4F7

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-1879856-B1 ALKYL-, ALKENYL- AND ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2011-03-16 EP disclosed
EP-1879856-A2 ALKYL-, ALKENYL- AND ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-01-23 EP disclosed
WO-2006117461-A2 ALKYL-, ALKENYL- ET ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-11-09 WO disclosed