SCHEMBL9003084

SCHEMBL9003084

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLO1 Q04760 1/20 0.43
SOAT1 P35610 1/20 0.42
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3358255 1.00 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL3358247 0.83 ALOX15 (0.44) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL27884874 0.83 ALOX15 (0.44) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL3358244 0.83 TSHR (0.37) ALOX15ALDH1A1LMNAHSD17B10TSHR
SCHEMBL1144352 0.81 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL1144348 0.81 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL8616862 0.81 ALOX15 (0.52) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL7472245 0.81 ACHE (0.35) ALOX15ALDH1A1LMNAHSD17B10TSHR
SCHEMBL7472239 0.81 ALOX15 (0.43) ALOX15ALDH1A1LMNAHSD17B10GLO1
SCHEMBL5611950 0.80 ALDH1A1 (0.58) ALOX15ALDH1A1LMNAHSD17B10GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP claimed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US claimed
WO-2012135781-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP disclosed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US disclosed
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed
US-4760163-A 3-(5-carboxy-4-substituted-phenyl)-(thio)uracil-esters and salts HOFFMANN-LAROCHE INC. (US) 1988-07-26 US disclosed