SCHEMBL7344488

SCHEMBL7344488

CC(C)OC(=O)CCCC[C]=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 3/20 0.35
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2B P41595 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
SCHEMBL8104259 0.85 LMNA (0.78) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL15391 0.85 LMNA (0.78) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL11761304 0.84 LMNA (0.60) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL12132118 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL9216453 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL495594 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL494255 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL494127 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL10788600 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2MAPT
SCHEMBL494007 0.83 LMNA (0.83) LMNAALDH1A1GAAEPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed