SCHEMBL3623008

SCHEMBL3623008

CCCCCC/C(C)=C/CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FAAH O00519 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOAT1 P35610 1/20 0.41
DNM1 Q05193 4/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
EPHX1 P07099 1/20 0.40
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
HDAC11 Q96DB2 4/20 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
SCHEMBL3623010 1.00 SPHK2 (0.43) SPHK2SPHK1CES2CES1MEN1
SCHEMBL19033449 0.98 SPHK2 (0.39) SPHK2SPHK1CES2CES1MEN1
SCHEMBL3628384 0.91
SCHEMBL23229516 0.83 LSS (0.43) SPHK2SPHK1MEN1KMT2AFAAH
SCHEMBL3319261 0.81 CES2 (0.44) SPHK2SPHK1CES2CES1MEN1
SCHEMBL11973227 0.81 CES2 (0.44) SPHK2SPHK1CES2CES1MEN1
SCHEMBL2010733 0.81 CES2 (0.44) SPHK2SPHK1CES2CES1MEN1
SCHEMBL7184393 0.81 CES2 (0.44) SPHK2SPHK1CES2CES1MEN1
SCHEMBL2010736 0.81 CES2 (0.44) SPHK2SPHK1CES2CES1MEN1
SCHEMBL25404141 0.81 SQLE (0.52) CES2CES1MEN1KMT2AFAAH

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
US-7789934-B2 Combination of an N-alkyl- or N,N-dialkylpolyhydroxyalkanamide and a metal soap, an alkylenebisfatty amide, or an N-alkylalkanamide; improves both flowability and lubricity, regardless of a presence or absence of a complicated pretreatment step. KABUSHIKI KAISHA KOBE SEIKO SHO (JP) 2010-09-07 US disclosed
US-20070154340-A1 Lubricant for powder metallurgy, powdery mixture for powder metallurgy, and process for producing sinter KABUSHIKI KAISHA KOBE SEIKO SHO (JP) 2007-07-05 US disclosed