SCHEMBL2039757

SCHEMBL2039757

CCCCN(C)CCCC.CCCCN(CCCC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
DNM1 Q05193 3/20 0.41
KDM4C Q9H3R0 6/20 0.41
KDM5A P29375 4/20 0.41
CHRM2 P08172 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4A O75164 2/20 0.38
PHF8 Q9UPP1 1/20 0.38
GGPS1 O95749 1/20 0.38
FDPS P14324 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPT P10636 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
SCHEMBL78617 0.90 DNM1 (0.47) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL14817123 0.89 S1PR2 (0.36) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL27445832 0.88 DNM1 (0.57) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL10380694 0.88 DNM1 (0.57) S1PR2S1PR1S1PR3S1PR5DNM1
Fluoride SCHEMBL1995826 0.87 DNM1 (0.45) S1PR2S1PR1S1PR3S1PR5DNM1
Bromide SCHEMBL1993994 0.87 DNM1 (0.50) S1PR2S1PR1S1PR3S1PR5DNM1
Trimethylammonium SCHEMBL11418010 0.87 DNM1 (0.45) DNM1KDM4CKDM5ACA12CA1
SCHEMBL29581377 0.87 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL29580877 0.87 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5DNM1
Hydrochloric Acid SCHEMBL1997515 0.87 DNM1 (0.50) S1PR2S1PR1S1PR3S1PR5DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110132646-A1 FLAME RETARDANT EPOXY RESIN COMPOSITION, PREPREG AND LAMINATE THEREOF ICL-IP AMERICA INC. (US) 2011-06-09 US disclosed
EP-0954553-B2 LATENT CATALYSTS FOR EPOXY CURING SYSTEMS DOW GLOBAL TECHNOLOGIES INC (US) 2008-12-10 EP disclosed
EP-0954553-B1 LATENT CATALYSTS FOR EPOXY CURING SYSTEMS DOW GLOBAL TECHNOLOGIES INC (US) 2004-08-11 EP disclosed
US-20040086720-A1 Latent catalysts for epoxy curing systems GAN JOSEPH (DE) 2004-05-06 US disclosed
US-6613839-B1 Polyepoxide, catalyst/cure inhibitor complex and anhydride THE DOW CHEMICAL COMPANY 2003-09-02 US disclosed
EP-0954553-A1 LATENT CATALYSTS FOR EPOXY CURING SYSTEMS THE DOW CHEMICAL COMPANY (US) 1999-11-10 EP disclosed
WO-1998031750-A1 LATENT CATALYSTS FOR EPOXY CURING SYSTEMS THE DOW CHEMICAL COMPANY (US) 1998-07-23 WO disclosed
US-5162574-A From Cyanogen Halide and 1,1-Bis/P-Hydroxyphenyl/Ethane HI-TEK POLYMERS, INC. (US) 1992-11-10 US disclosed