SCHEMBL6574376

SCHEMBL6574376

CC(C)OC(O)CCCCN

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
GSR P00390 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CPB2 Q96IY4 4/20 0.34
NFKB1 P19838 1/20 0.32
DNM1 Q05193 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL6577195 0.98 TRPV1 (0.43) TRPV1TRPA1GSRRNPEPSPHK1
SCHEMBL6575518 0.98 TRPV1 (0.43) TRPV1TRPA1GSRRNPEPSPHK1
SCHEMBL6574417 0.83
SCHEMBL7880865 0.79 SMN1; SMN2 (0.32) TRPV1TRPA1
SCHEMBL11326238 0.79 TRPV1 (0.36) TRPV1TRPA1SPHK1CPB2
SCHEMBL10181292 0.77 SPHK1 (0.48) SPHK1
SCHEMBL7526967 0.77 LMNA (0.35) TRPV1TRPA1SPHK1
SCHEMBL10276905 0.77 SPHK1 (0.48) SPHK1
SCHEMBL344908 0.77 SPHK1 (0.48) SPHK1
SCHEMBL27841408 0.77 SPHK1 (0.48) SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817776-B1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECH CORP (US) 2004-05-06 EP disclosed
US-5783642-A Coating compositions containing 1,3,5-triazine compounds substituted with acetal and/or cyclized acetal-based groups CYTEC INDUSTRIES INC. (US) 1998-07-21 US disclosed
US-5777040-A Curable compositions containing 1,3,5-triazine compounds substituted with acetal and/or cyclized acetal-based groups CYTEC TECHNOLOGY CORP. (US) 1998-07-07 US disclosed
EP-0817776-A1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECHNOLOGY CORP. (US) 1998-01-14 EP disclosed
US-5672703-A CURING AGENTS CYTEC TECHNOLOGY CORP. (US) 1997-09-30 US disclosed
WO-1996029318-A1 FORMALDEHYDE-FREE 1,3,5-TRIAZINE BASED CROSSLINKERS CYTEC TECHNOLOGY CORP. (US) 1996-09-26 WO disclosed