SCHEMBL4000198

SCHEMBL4000198

CC(C)CCCCCCCCCCCCCCCC(N)CCCN

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
SPHK1 Q9NYA1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
S1PR2 O95136 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR4 O95977 4/20 0.35
OPRM1 P35372 1/20 0.33
GSR P00390 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
SCHEMBL7429327 0.92 LMNA (0.43) TRPV1TRPA1LMNAPLA2G1BPLA2G2A
SCHEMBL4006368 0.90 TRPV1 (0.42) TRPV1TRPA1LMNAPLA2G1BPLA2G2A
SCHEMBL7093122 0.87 CA12 (0.44) TRPV1TRPA1LMNAALDH1A1S1PR2
SCHEMBL118217 0.84 DNM1 (0.50) TRPV1TRPA1LMNAALDH1A1
SCHEMBL19946200 0.84 DNM1 (0.50) TRPV1TRPA1LMNAALDH1A1
SCHEMBL19468478 0.84 DNM1 (0.50) TRPV1TRPA1LMNAALDH1A1
SCHEMBL1507436 0.84 DNM1 (0.50) TRPV1TRPA1LMNAALDH1A1
SCHEMBL3792319 0.84 DNM1 (0.50) LMNAALDH1A1GSR
SCHEMBL19468521 0.84 DNM1 (0.50) TRPV1TRPA1LMNAALDH1A1
SCHEMBL19468447 0.84 DNM1 (0.50) TRPV1TRPA1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109657-A1 LUBRICATING OIL COMPOSITION Showa Shell Sekiyu K. K. (JP) 2009-10-21 EP disclosed
WO-2009074667-A1 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2009-06-18 WO disclosed
WO-2008095966-A1 LUBRICATING OIL COMPOSITION SHOWA SHELL SEKIYU K.K. (JP) 2008-08-14 WO disclosed