SCHEMBL2839149

SCHEMBL2839149

CCCCCC(N(CC)CC)N(C(C)O)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.44
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
GPR84 Q9NQS5 7/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL2842758 0.82 PLA2G1B (0.40) SPHK1PLA2G1BPLA2G2AGPR84FFAR1
SCHEMBL3924037 0.82 SPHK1 (0.42) SPHK1PLA2G1BPLA2G2AGPR84FFAR1
SCHEMBL2844609 0.82 SPHK1 (0.45) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL18315362 0.80 PLA2G1B (0.52) SPHK1PLA2G1BPLA2G2AGPR84FFAR1
SCHEMBL6455804 0.80 PLA2G1B (0.52) SPHK1PLA2G1BPLA2G2AGPR84FFAR1
SCHEMBL4189025 0.80 PLA2G1B (0.52) SPHK1PLA2G1BPLA2G2AGPR84FFAR1
SCHEMBL3924470 0.78 PLA2G1B (0.44) SPHK1PLA2G1BPLA2G2AGPR84FFAR1
SCHEMBL3919951 0.78 PLA2G1B (0.44) SPHK1PLA2G1BPLA2G2AGPR84FFAR1
SCHEMBL7782007 0.77 SPHK1 (0.48) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL429598 0.77 SPHK1 (0.48) SPHK1GPR84FFAR1LMNACYP2D6

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