Octane

Octane

SCHEMBL27910076

CCCCCCC(=O)OS(=O)(=O)O.CCCCCCCC

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.55
LMNA P02545 2/20 0.52
PAM P19021 2/20 0.50
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TSHR P16473 4/20 0.47
PPARG P37231 5/20 0.46
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
HDAC11 Q96DB2 4/20 0.46
GPR84 Q9NQS5 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 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
SCHEMBL6689556 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL3762292 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL339526 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL6688849 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL3846923 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL1827580 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL5431993 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL2464653 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL1445754 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1
SCHEMBL1593662 1.00 DGKA (0.55) DGKALMNAPAMMAPTMAPK1

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
CN-103154830-B Electrification member CANON KK 2015-04-22 CN disclosed
CN-103154830-A Electrification member CANON KK 2013-06-12 CN disclosed