SCHEMBL7286194

SCHEMBL7286194

CC(C)(C)OC(=O)CCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.56
KDM4E B2RXH2 1/20 0.53
NQO2 P16083 1/20 0.48
MTNR1A P48039 3/20 0.48
NR1D1 P20393 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL2366865 0.88 CDYL (0.48) CDYLKDM4ENQO2MTNR1ANR1D1
SCHEMBL6209967 0.85 CYP4F2 (0.53) CDYLKDM4EMTNR1ATDP1CYP4F2
SCHEMBL2914936 0.84 SIRT5 (0.59) KDM4ENR1D1TDP1L3MBTL1CTSS
SCHEMBL8201865 0.84 IAPP (0.43) CDYLKDM4ENQO2CYP4F2CYP4A11
SCHEMBL1820018 0.83 FFAR4 (0.46) CDYLKDM4ENQO2MTNR1ANR1D1
SCHEMBL24608907 0.83 KMT2A (0.46) CDYLKDM4ENQO2MTNR1ANR1D1
SCHEMBL2842396 0.83 CYP11B2 (0.42) CDYLKDM4ENR1D1CTSSCTSK
SCHEMBL10506028 0.83 MTNR1A (0.47) CDYLKDM4ENQO2MTNR1ATDP1
SCHEMBL30498970 0.83 CDYL (0.60) CDYLKDM4ENQO2MTNR1ATDP1
SCHEMBL6615856 0.83 CDYL (0.60) CDYLKDM4ENQO2MTNR1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed