SCHEMBL8950751

SCHEMBL8950751

NCCCC(O)C(O)OC(O)C(O)CCCN

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
SPHK1 Q9NYA1 1/20 0.33
CPB2 Q96IY4 1/20 0.32
GSR P00390 1/20 0.30
NFKB1 P19838 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL13387147 0.80 TRPV1 (0.48) TRPV1TRPA1SPHK1CPB2GSR
SCHEMBL16162196 0.74 SPHK1 (0.43) SPHK1
SCHEMBL8916085 0.73 TRPV1 (0.39) TRPV1TRPA1SPHK1CPB2GSR
SCHEMBL148994 0.71 TRPV1 (0.52) TRPV1TRPA1SPHK1CPB2GSR
SCHEMBL19159678 0.70 TRPV1 (0.40) TRPV1TRPA1SPHK1CPB2GSR
SCHEMBL27802311 0.70
SCHEMBL3778830 0.70
SCHEMBL10456902 0.70
SCHEMBL8137858 0.70
SCHEMBL6004665 0.70 TRPV1 (0.40) TRPV1TRPA1SPHK1CPB2GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5567748-A A REACTION PRODUCT OF HYDROPHILIC POLYOXYALKYLENE AMINES AND DIGLYCIDYL ETHERS OF A POLYALKYLENE GLYCOL; CURING AGENTS, EMULSIFIERS, DISPERSANTS; WATERBASE PAINTS THE DOW CHEMICAL COMPANY (US) 1996-10-22 US disclosed
EP-0617726-B1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS DOW CHEMICAL CO (US) 1996-01-31 EP disclosed
EP-0617726-A1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS. DOW CHEMICAL CO (US) 1994-10-05 EP disclosed
WO-1993012187-A1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS THE DOW CHEMICAL COMPANY (US) 1993-06-24 WO disclosed