SCHEMBL9562827

SCHEMBL9562827

CCCCCCC[C](N)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.59
SPHK1 Q9NYA1 1/20 0.59
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 7/20 0.55
PPARD Q03181 7/20 0.55
PPARA Q07869 7/20 0.55
HDAC11 Q96DB2 5/20 0.55
TSHR P16473 4/20 0.55
PTPN1 P18031 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
FABP4 P15090 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
ESR1 P03372 1/20 0.55
ALOX15 P16050 1/20 0.55
PDE4A P27815 1/20 0.55

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
SCHEMBL27911687 1.00
SCHEMBL5184982 0.97
SCHEMBL798415 0.88
SCHEMBL5691700 0.83 SPHK2 (0.54) SPHK2SPHK1GPR84PPARGPPARD
SCHEMBL8459953 0.83 SPHK2 (0.54) SPHK2SPHK1GPR84PPARGPPARD
SCHEMBL4358496 0.83 SPHK2 (0.54) SPHK2SPHK1GPR84PPARGPPARD
SCHEMBL16302453 0.83 SPHK2 (0.54) SPHK2SPHK1GPR84PPARGPPARD
SCHEMBL21602979 0.83 SPHK2 (0.54) SPHK2SPHK1GPR84PPARGPPARD
SCHEMBL21602978 0.83 SPHK2 (0.54) SPHK2SPHK1GPR84PPARGPPARD
SCHEMBL13448422 0.83 SPHK2 (0.54) SPHK2SPHK1GPR84PPARGPPARD

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-5236909-A OCTYL ETHERS AND OCTADIENYL ETHERS HENKEL RESEARCH CORPORATION (US) 1993-08-17 US disclosed
US-5206396-A Telomerization of 1,3-butadiene HENKEL RESEARCH CORPORATION (US) 1993-04-27 US disclosed
WO-1992001702-A1 OCTYL ETHERS AND OCTADIENYL ETHERS HENKEL CORPORATION (US) 1992-02-06 WO disclosed