SCHEMBL6434286

SCHEMBL6434286

CC(C)OC(=O)[C@@H](N)Cc1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
NOS2 P35228 1/20 0.31
NLRP3 Q96P20 3/20 0.31
CYP1A2 P05177 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
SCHEMBL6434283 1.00 MAP3K7 (0.32) MAP3K7TAB1NOS2NLRP3CYP1A2
Hydrochloric Acid SCHEMBL28268599 0.99 MAP3K7 (0.31) MAP3K7TAB1NOS2NLRP3CYP1A2
SCHEMBL10595785 0.87 MAPT (0.34) MAP3K7TAB1
SCHEMBL15459534 0.87 MAPT (0.34) MAP3K7TAB1
SCHEMBL23048409 0.86 NLRP3 (0.32) MAP3K7TAB1NLRP3CYP1A2
SCHEMBL18633058 0.86
SCHEMBL18668282 0.85
SCHEMBL14809829 0.85 CASR (0.36) CYP1A2
SCHEMBL262238 0.85 ALDH1A1 (0.36) MAP3K7TAB1
SCHEMBL833709 0.85 ALDH1A1 (0.36) MAP3K7TAB1

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
EP-1603549-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS Yu, Ruey J., Dr. (US) 2005-12-14 EP claimed
US-20040220264-A1 Bioavailability and improved delivery of acidic pharmaceutical drugs YU RUEY J 2004-11-04 US claimed
WO-2004082628-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS YU RUEY J (US) 2004-09-30 WO claimed
US-20040220264-A1 Bioavailability and improved delivery of acidic pharmaceutical drugs YU RUEY J 2004-11-04 US disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed