SCHEMBL533732

SCHEMBL533732

CC(=O)OCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
LMNA P02545 1/20 0.59
PGR P06401 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
PARP10 Q53GL7 1/20 0.51
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.49
SYK P43405 2/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48

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 SCHEMBL27540845 0.98 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ALMNAPGR
Pyridine SCHEMBL27796794 0.93 NPC1 (0.57) SMN1; SMN2NPC1RAB9ALMNAPGR
Trifluoroacetic Acid SCHEMBL27817954 0.89 NPC1 (0.54) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL20509994 0.85 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL6562475 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL11377704 0.83 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL8567708 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL9525780 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL30753585 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ALMNAPGR
SCHEMBL12320823 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ALMNAPGR

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 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118993027-A Preparation method and application of porous carbon with bimodal pore size distribution 福建省鑫森炭业股份有限公司 2024-11-22 CN claimed
CN-108864438-B Preparation method and application of polymer microsphere with core-shell and hierarchical pore structure 上海师范大学 2021-08-03 CN claimed
CN-108864438-A Have both the preparation method and application of the polymer microballoon of nucleocapsid and hierarchical porous structure 上海师范大学 2018-11-23 CN claimed
CN-104363887-B Compositions, methods and uses comprising pyridine dicarboxylic acid esters and esters of glucose and fatty acids 莱雅公司 2017-11-10 CN claimed
CN-107106452-A Specific pyridinedicarboxylicacid acid derivatives/antioxidant combination 欧莱雅 2017-08-29 CN claimed
CN-104379121-A Compositions, methods and uses comprising pyridine dicarboxylic acid esters and styling polymers OREAL 2015-02-25 CN claimed
CN-104363887-A Compositions, methods and uses comprising pyridine dicarboxylic acid esters and esters of glucose and fatty acids OREAL 2015-02-18 CN claimed
CN-102149385-A Compound (I) GLAXOSMITHKLINE LLC 2011-08-10 CN claimed
CN-118993027-A Preparation method and application of porous carbon with bimodal pore size distribution 福建省鑫森炭业股份有限公司 2024-11-22 CN disclosed
CN-114716438-B Benzo [7,8] indolizine [1,2-c ] quinoline skeleton derivative and synthetic method thereof 常州大学 2023-05-23 CN disclosed
CN-113788831-B Dihydroindazine pyrrolone derivative and analogue and synthetic method thereof 常州大学 2023-01-17 CN disclosed
CN-114716438-A Derivative with benzo [7,8] indolizine [1,2-c ] quinoline skeleton and synthetic method thereof 常州大学 2022-07-08 CN disclosed
CN-113788831-A Dihydroindazine pyrrolone derivative and analogue and synthetic method thereof 常州大学 2021-12-14 CN disclosed
CN-108864438-B Preparation method and application of polymer microsphere with core-shell and hierarchical pore structure 上海师范大学 2021-08-03 CN disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP disclosed
US-4426526-A HISTAMINE ANTAGONISTS, ANTIINFLAMMATORY, ANTISECRETORY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-01-17 US disclosed
US-4264608-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-04-28 US disclosed
US-4215126-A HISTAMINE H2 BLOCKING SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-29 US disclosed
US-4156727-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-29 US disclosed
US-4154838-A ANTIHISTAMINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed