SCHEMBL3165873

SCHEMBL3165873

CCCCCCCCC(C)(CC)SC(N)=S

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.36
SMPD1 P17405 4/20 0.36
GGPS1 O95749 6/20 0.34
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL19244068 0.81 FDPS (0.36) FDPSSMPD1GGPS1SPHK2SPHK1
SCHEMBL10828141 0.81 FDPS (0.36) FDPSSMPD1GGPS1SPHK2SPHK1
SCHEMBL20892748 0.74 MEN1 (0.35)
SCHEMBL10488770 0.72 MGLL (0.33) FDPSSMPD1SPHK2SPHK1
SCHEMBL3165865 0.70 EPHX1 (0.33) FDPSSMPD1GGPS1SPHK1
SCHEMBL20892694 0.70 ALDH1A1 (0.34)
Dodecane SCHEMBL8390187 0.69 TSHR (0.50) SPHK2SPHK1
SCHEMBL8391085 0.69 TSHR (0.50) SPHK2SPHK1
Dodecane SCHEMBL8388429 0.69 TSHR (0.50) SPHK2SPHK1
Thiourea SCHEMBL10616902 0.69 FDPS (0.47) FDPSSMPD1GGPS1SPHK2SPHK1

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
US-20100009878-A1 LUBRICATING OIL COMPOSITION SHOWA SHELL SEKIYU K.K. (JP) 2010-01-14 US disclosed
EP-2092046-A1 LUBRICATING OIL COMPOSITION Showa Shell Sekiyu K. K. (JP) 2009-08-26 EP disclosed
WO-2008090179-A1 LUBRICATING OIL COMPOSITION SHOWA SHELL SEKIYU K.K. (JP) 2008-07-31 WO disclosed