SCHEMBL16619434

SCHEMBL16619434

COC(=O)COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1-c1c(C)noc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
FFAR1 O14842 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TSHR P16473 2/20 0.39
HDAC1 Q13547 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 1/20 0.35
AXL P30530 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL18249950 0.87 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPK1RAB9ACYP1A2
SCHEMBL16619524 0.75 ATAD2 (0.46) CYP3A4FFAR1HDAC1
SCHEMBL16619017 0.74 AKR1C3 (0.47) ALDH1A1RAB9ACYP1A2FFAR1
SCHEMBL8426541 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1RAB9ACYP1A2
SCHEMBL16619801 0.73 ALDH1A1 (0.55) ALDH1A1HSD17B10MAPK1RAB9ACYP1A2
SCHEMBL20032548 0.68 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPK1RAB9ACYP1A2
SCHEMBL374339 0.68 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1RAB9ACYP1A2
SCHEMBL12095422 0.68 FFAR1 (0.44) HSD17B10FFAR1HDAC1METAXL
SCHEMBL16619466 0.68 BRD4 (0.48) CYP3A4METAXL
SCHEMBL15057556 0.67 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed