SCHEMBL2846583

SCHEMBL2846583

OCCCN(CCCO)CCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 5/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL24654745 0.98 HRH3 (0.41) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL7106726 0.92 HRH3 (0.50) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL13187858 0.87 HRH3 (0.42) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL2842787 0.87 HRH3 (0.42) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL17539388 0.85 HRH3 (0.39) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL11199088 0.85 HRH3 (0.39) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL17526229 0.84 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL2844514 0.83 HRH3 (0.50) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL17528476 0.83 HRH3 (0.37) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL17528498 0.83 HRH3 (0.37) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1

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 10 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
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-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-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