SCHEMBL16619134

SCHEMBL16619134

CCOC(=O)CCc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 15/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 3/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.44
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16619297 0.82 ALDH1A1 (0.52) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL21200870 0.81 ALDH1A1 (0.53) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL16619663 0.77 ALDH1A1 (0.47) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL16619576 0.74 ALDH1A1 (0.64) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL22766451 0.74 ALDH1A1 (0.55) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL8107490 0.73 ALDH1A1 (0.77) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL16112294 0.73 RAB9A (0.70) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL16604818 0.72 ALDH1A1 (0.59) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL15010761 0.72 ALDH1A1 (0.62) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL5540923 0.72 ALDH1A1 (0.53) RAB9AALDH1A1CYP1A2CYP3A4HSD17B10

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