SCHEMBL4010479

SCHEMBL4010479

CCCCCCCCC(N)=CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
FAAH O00519 3/20 0.45
SOAT1 P35610 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
DNM1 Q05193 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
EPHX1 P07099 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL4014489 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL2041174 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL3995906 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL10498206 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL4018496 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL10498257 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL10499087 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL10498272 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL4142483 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL3997530 1.00 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074202-A2 LUBRICATING OIL COMPOSITION Showa Shell Sekiyu K. K. (JP) 2009-07-01 EP disclosed
WO-2008031808-A2 LUBRICATING OIL COMPOSITION AN ASPARTIC ACID DERIVATIVE AND A FATTY ESTER OF A POLYHYDRIC ALCOHOL SHOWA SHELL SEKIYU K.K. (JP) 2008-03-20 WO disclosed