SCHEMBL2850210

SCHEMBL2850210

CCN(CC)CCCN(CCCN(CC)CC)CCCN(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PAOX Q6QHF9 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.35
ALDH2 P05091 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
SLC2A1 P11166 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.32

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
SCHEMBL1251004 1.00 CYP1A2 (0.46) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL3920017 0.94 CYP1A2 (0.52) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL13488737 0.94 CYP1A2 (0.52) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL27157479 0.94 CYP1A2 (0.46) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL2839151 0.92 CYP1A2 (0.45) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL7837862 0.92 CYP1A2 (0.54) CYP1A2CYP2C9HPGDMAPK1HIF1A
Trolamine SCHEMBL22749413 0.91 CYP1A2 (0.52) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL5180652 0.91 CYP1A2 (0.41) CYP1A2CYP2C9HPGDMAPK1HIF1A
Diethylaminoethanol SCHEMBL22124994 0.90 HSD17B10 (0.43) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL2845508 0.89 PAOX (0.39) CYP1A2CYP2C9HPGDMAPK1HIF1A

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 12 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
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