SCHEMBL11453079

SCHEMBL11453079

O=C(O)CCCCC(=O)OCC(OC(=O)CCCCC(=O)O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.38
IDO1 P14902 1/20 0.38
EPHX2 P34913 1/20 0.37
PRKCA P17252 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
NAAA Q02083 1/20 0.35
TLR2 O60603 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28325450 0.84 NAAA (0.42) LMNAALDH1A1GAAEPHX1IDO1
SCHEMBL27700610 0.79 NAAA (0.48) LMNAALDH1A1PRKCANAAATLR2
SCHEMBL6536625 0.78 EPHX1 (0.45) LMNAALDH1A1GAAEPHX1EPHX2
SCHEMBL28580297 0.78 KDM4C (0.40) LMNAALDH1A1EPHX1IDO1EPHX2
SCHEMBL28136771 0.77 LMNA (0.38) LMNAALDH1A1GAAEPHX1IDO1
SCHEMBL17025999 0.75 ALDH1A1 (0.40) LMNAALDH1A1GAAIDO1EPHX2
SCHEMBL27633051 0.73 LMNA (0.57) LMNAALDH1A1GAAEPHX1IDO1
SCHEMBL11240771 0.73 ALDH1A1 (0.37) LMNAALDH1A1EPHX1SMN1; SMN2TSHR
SCHEMBL4254210 0.72 ALDH1A1 (0.68) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL10936420 0.71 LMNA (0.48) LMNAALDH1A1GAAEPHX1EPHX2

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-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US claimed
US-4216119-A IN A CARBOXYLIC ACID MEDIA PHILLIPS PETROLEUM COMPANY (US) 1980-08-05 US disclosed
US-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US disclosed