SCHEMBL2845937

SCHEMBL2845937

CN1CCN(CCN(CCO)CCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MGLL Q99685 2/20 0.32
SIGMAR1 Q99720 3/20 0.32
HTR1A P08908 1/20 0.31
MC4R P32245 1/20 0.31
PHGDH O43175 1/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL13187897 1.00 PAOX (0.37) PAOXALDH1A1KDM4EMGLLSIGMAR1
SCHEMBL2847416 0.88 PAOX (0.43) PAOXALDH1A1KDM4ESIGMAR1POLB
SCHEMBL2839045 0.88 PAOX (0.39) PAOXALDH1A1KDM4EMGLLSIGMAR1
SCHEMBL27077586 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ESIGMAR1HTR1ALMNA
SCHEMBL30425835 0.85 KDM4E (0.33) ALDH1A1KDM4ESIGMAR1
SCHEMBL15065348 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHPGDTSHR
SCHEMBL16075891 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ESIGMAR1HTR1ALMNA
SCHEMBL18024032 0.83 SIGMAR1 (0.40) PAOXSIGMAR1TSHR
SCHEMBL11199088 0.82 HRH3 (0.39) ALDH1A1SIGMAR1LMNAPOLB
SCHEMBL17539388 0.82 HRH3 (0.39) ALDH1A1SIGMAR1LMNAPOLB

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