SCHEMBL13895147

SCHEMBL13895147

CN[C@@H]1CCCC[C@@H]1CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.38
TSHR P16473 3/20 0.33
BRD4 O60885 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
POLB P06746 2/20 0.32
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL13895126 0.96 HCRTR1 (0.34) EPHX2TSHRBRD4NPSR1ALDH1A1
SCHEMBL8444550 0.84 EPHX2 (0.44) EPHX2TSHRBRD4NPSR1POLB
SCHEMBL13867649 0.83 EPHX2 (0.41) EPHX2NPSR1ALDH1A1L3MBTL1HCRTR1
SCHEMBL9056296 0.82 EPHX2 (0.41) EPHX2TSHRALDH1A1HSD17B10
SCHEMBL14429810 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10145351 0.77 SLC6A12 (0.39) L3MBTL1HCRTR1HCRTR2
SCHEMBL26897449 0.76 SMN1; SMN2 (0.33) ALDH1A1CYP2C19GAA
SCHEMBL3826823 0.76 EPHX1 (0.43) EPHX2L3MBTL1GAA
SCHEMBL18517008 0.76 EPHX2 (0.39) EPHX2TSHRBRD4NPSR1ALDH1A1
SCHEMBL28388535 0.76 EPHX2 (0.39) EPHX2TSHRBRD4NPSR1POLB

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
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed