SCHEMBL6587694

SCHEMBL6587694

CCc1ccc(N)cc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.59
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 5/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
GLA P06280 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
CFTR P13569 2/20 0.46
ABL1 P00519 1/20 0.45
ALOX5 P09917 1/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL4036931 0.86 GAA (0.64) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL9081162 0.85 GAA (0.54) GAAALDH1A1KDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL27508101 0.84 GAA (0.62) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL21846906 0.83 GAA (0.53) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL21810696 0.83 GAA (0.53) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL29223381 0.81 GAA (0.50) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1403643 0.81 GAA (0.72) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2318550 0.80 CA12 (0.65) GAAALDH1A1HSD17B10HPGDTSHR
SCHEMBL13469243 0.80 CYP46A1 (0.51) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6387042 0.80 HSP90AA1 (0.51) GAAALDH1A1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed