SCHEMBL6958295

SCHEMBL6958295

COC(=O)c1ccc(C2CC3CCC(C2O)N3OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A3 Q01959 7/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 3/20 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
SCHEMBL6960210 0.87 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4
SCHEMBL6957772 0.87 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4
SCHEMBL6042839 0.77 KDM4E (0.51) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6960005 0.75 MEN1 (0.39) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL17003334 0.70 HTT (0.45) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL17003336 0.70 HTT (0.45) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6952802 0.69 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4
SCHEMBL24244951 0.68 PDE4B (0.46) KDM4EALDH1A1
SCHEMBL22551223 0.68 PDE4B (0.46) KDM4EALDH1A1
SCHEMBL3069366 0.68 PDE4B (0.46) KDM4EALDH1A1

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed