SCHEMBL6434290

SCHEMBL6434290

CC(C)OC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63
SLC7A5 Q01650 1/20 0.63
HRH4 Q9H3N8 3/20 0.57
HRH3 Q9Y5N1 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
GLA P06280 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
LMNA P02545 1/20 0.55
APEX1 P27695 1/20 0.55
BLM P54132 1/20 0.55

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
Hydrochloric Acid SCHEMBL28268597 0.99 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL23408731 0.87 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL388562 0.86 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL28038974 0.85 CYP3A4 (0.59) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1581156 0.85 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL262239 0.85 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3846866 0.85 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.84 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.84 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3457999 0.84 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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 9 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
CN-109748875-A A kind of preparation method of whale carnosine and its intermediate 南京纽邦生物科技有限公司 2019-05-14 CN disclosed
CN-108504142-A A kind of anti-dazzle antifogging glass and its surface treatment liquid and preparation method thereof 深圳市格络光电有限公司 2018-09-07 CN disclosed
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