SCHEMBL2839151

SCHEMBL2839151

CCN(CC)CCCCCCN(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
PAOX Q6QHF9 1/20 0.42
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33

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
SCHEMBL27157479 0.97 CYP1A2 (0.46) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL3924042 0.95 CYP1A2 (0.50) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL1251004 0.92 CYP1A2 (0.46) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL18158087 0.92 CYP1A2 (0.52) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL2850210 0.92 CYP1A2 (0.46) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL2842765 0.90 PAOX (0.42) CYP1A2HSD17B10CYP2C9HPGDMAPK1
Trolamine SCHEMBL22749413 0.89 CYP1A2 (0.52) CYP1A2HSD17B10CYP2C9HPGDMAPK1
Diethylaminoethanol SCHEMBL22124994 0.87 HSD17B10 (0.43) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL13488737 0.86 CYP1A2 (0.52) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL1404074 0.86 ALDH1A1 (0.48) CYP1A2HSD17B10CYP2C9HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP claimed
US-6596663-B1 Reacting a polyol with an organic polyisocyanate in the presence of a diamine catalyst and, if necessary, a blowing agent, a surfactant, a cross-linking agent TOSOH CORPORATION (JP) 2003-07-22 US claimed
EP-1092737-A2 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin Tosoh Corporation (JP) 2001-04-18 EP claimed
US-8877825-B2 Catalyst composition for production of polyurethane resin and method for producing polyurethane resin TOSOH CORPORATION (JP) 2014-11-04 US disclosed
EP-2050775-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN TOSOH CORP (JP) 2013-08-14 EP disclosed
US-20100130629-A1 CATALYST COMPOSITION FOR PRODUCTION OF POLYURETHANE RESIN AND METHOD FOR PRODUCING POLYURETHANE RESIN (AS AMENDED) TOSOH CORPORATION (JP) 2010-05-27 US disclosed
US-7572837-B2 Process for the production of flexible polyurethane foams TOSOH CORPORATION (JP) 2009-08-11 US disclosed
EP-2050775-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN Tosoh Corporation (JP) 2009-04-22 EP disclosed
EP-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP disclosed
US-20030144371-A1 Catalyzing the copolymerization in presence of imidazole compounds, free of tin comound, forming polyetherurethane copolymers TOSOH CORPORATION (JP) 2003-07-31 US disclosed
US-6596663-B1 Reacting a polyol with an organic polyisocyanate in the presence of a diamine catalyst and, if necessary, a blowing agent, a surfactant, a cross-linking agent TOSOH CORPORATION (JP) 2003-07-22 US disclosed
EP-1312630-A1 Process for the production of flexible polyurethane foams Tosoh Corporation (JP) 2003-05-21 EP disclosed
EP-1092737-A2 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin Tosoh Corporation (JP) 2001-04-18 EP disclosed