SCHEMBL6181563

SCHEMBL6181563

CC(C)CC(C)OCOC(C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL12332004 0.78
SCHEMBL12039755 0.78 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL12330856 0.78
SCHEMBL18959709 0.78 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL7963560 0.78
SCHEMBL12124909 0.78
SCHEMBL14076208 0.75
SCHEMBL5163855 0.75 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL7963562 0.75
SCHEMBL2781050 0.75

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