SCHEMBL7359495

SCHEMBL7359495

CCCOC[C@H](N)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NOD1 Q9Y239 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10682835 0.85 ALOX15 (0.42) HSD17B10NOS3NOS1NOS2ALOX15
SCHEMBL5216949 0.83 ALDH1A1 (0.54) HSD17B10NOS3NOS1NOS2ALOX15
SCHEMBL27323084 0.83 ALDH1A1 (0.54) HSD17B10NOS3NOS1NOS2ALOX15
SCHEMBL12967014 0.81 ALOX15 (0.42) HSD17B10ALOX15TDP1ALDH1A1CYP2C19
SCHEMBL12967039 0.81 ALOX15 (0.42) HSD17B10ALOX15TDP1ALDH1A1CYP2C19
SCHEMBL24633956 0.79 NOS3 (0.58) HSD17B10NOS3NOS1NOS2TDP1
SCHEMBL1287187 0.79 NOS3 (0.58) HSD17B10NOS3NOS1NOS2TDP1
SCHEMBL11413953 0.79 NOS3 (0.58) HSD17B10NOS3NOS1NOS2TDP1
SCHEMBL26763535 0.79 HSD17B10 (0.46) HSD17B10NOS3NOS1NOS2ALOX15
SCHEMBL14174568 0.78 ALDH1A1 (0.47) NOS3NOS1NOS2TDP1ALDH1A1

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-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed