SCHEMBL6178085

SCHEMBL6178085

CCCC(C)(C)O[C](C)OC(C)(C)CCC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1579162 0.81 GAA (0.50) GAALMNAHSD17B10ALDH1A1TSHR
SCHEMBL213107 0.78 LMNA (0.40) GAALMNAHSD17B10ALDH1A1TSHR
SCHEMBL609524 0.78 LMNA (0.40) GAALMNAHSD17B10ALDH1A1TSHR
SCHEMBL4445937 0.76 LMNA (0.39) GAALMNAHSD17B10ALDH1A1
SCHEMBL609525 0.76 LMNA (0.39) GAALMNAHSD17B10ALDH1A1TDP1
SCHEMBL6178788 0.75 TSHR (0.47) GAAALDH1A1TSHRTDP1
SCHEMBL15093549 0.74 GAA (0.43) GAALMNAHSD17B10ALDH1A1
SCHEMBL441489 0.74 TSHR (0.41) GAALMNAHSD17B10ALDH1A1TSHR
SCHEMBL2297495 0.74 LMNA (0.38) GAALMNAHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL11627695 0.74 LMNA (0.38) GAALMNAHSD17B10ALDH1A1

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-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed