SCHEMBL8909475

SCHEMBL8909475

COC(=O)C(O)C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
CYP1A2 P05177 4/20 0.48
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ABCC4 O15439 2/20 0.43
CACNA1F O60840 2/20 0.43
ABCB11 O95342 2/20 0.43
LMNA P02545 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43

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
SCHEMBL15539874 1.00 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL15540195 1.00 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL20537468 1.00 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL30444123 1.00 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL29418871 1.00 ALDH1A1 (0.70) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL2353735 0.84 ALDH1A1 (0.74) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL12788041 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL29923915 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL976018 0.82 ALDH1A1 (0.67) ALDH1A1CYP1A2NPSR1MAPTTSHR
SCHEMBL3697952 0.82 CYP1A2 (0.59) ALDH1A1CYP1A2TSHRKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234798-A Sulfamate derivative compounds for the treatment or alleviation of psychotic disorders 生物药品解决方案有限公司 2023-06-06 CN disclosed
CN-106507667-B Sulfamate derivatives for the prevention or treatment of epilepsy 比皮艾思药物研发有限公司 2020-01-24 CN disclosed
EP-2861571-B1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO LTD (KR) 2017-05-03 EP disclosed
EP-3079685-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 EP disclosed
WO-2015088273-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-06-18 WO disclosed
US-5670664-A Photosensitive organic compounds that release carbon monoxide upon illumination UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 1997-09-23 US disclosed