SCHEMBL9016911

SCHEMBL9016911

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)c1cccc(CCCCCCCC)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
PPARG P37231 3/20 0.50
PPARA Q07869 3/20 0.50
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
KCNH2 Q12809 1/20 0.48
DRD2 P14416 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL10724585 0.89 HPGD (0.61) ALDH1A1HPGD
SCHEMBL5254287 0.87 HPGD (0.57) ALDH1A1HPGDPPARGCYP4F2CYP4A11
SCHEMBL5254289 0.87 HPGD (0.57) ALDH1A1HPGDPPARGCYP4F2CYP4A11
SCHEMBL27671417 0.85 PPARG (0.50) PPARGPPARALPLLIPGSPHK2
SCHEMBL9506855 0.85 PPARG (0.50) PPARGPPARALPLLIPGSPHK2
SCHEMBL9508836 0.85 PPARG (0.50) PPARGPPARALPLLIPGSPHK2
SCHEMBL9508797 0.85 PPARG (0.50) PPARGPPARALPLLIPGSPHK2
SCHEMBL9504753 0.85 PPARG (0.50) PPARGPPARALPLLIPGSPHK2
SCHEMBL9507514 0.85 PPARG (0.50) PPARGPPARALPLLIPGSPHK2
SCHEMBL9507490 0.85 PPARG (0.50) PPARGPPARALPLLIPGSPHK2

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-0453010-B1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INT RESEARCH (NL) 1996-06-05 EP disclosed
EP-0453010-A1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-23 EP disclosed