Octane

Octane

SCHEMBL5312682

CCCCCCC(C)OC[C@H](CO)OP(=O)(O)OCCN.CCCCCCCC

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.48
SMPD1 P17405 3/20 0.40
PLA2G2D Q9UNK4 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
LAP3 P28838 1/20 0.35
PTPN1 P18031 1/20 0.34
PLA2G2A P14555 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
SCHEMBL8722280 0.84 PLA2G2C (0.66) PLA2G2CPLA2G2DLPAR1LPAR3
SCHEMBL7554036 0.83 PLA2G2C (0.51) PLA2G2CSMPD1PLA2G2DLPAR1LPAR3
SCHEMBL2523588 0.82 PLA2G2C (0.64) PLA2G2CPLA2G2DLPAR1LPAR3
SCHEMBL7204294 0.79 PRKCA (0.56) LPAR1LPAR3
SCHEMBL6254776 0.79 PRKCA (0.56) LPAR1LPAR3
SCHEMBL14659956 0.79 PRKCA (0.56) LPAR1LPAR3
SCHEMBL1962685 0.77 PLA2G2C (0.53) PLA2G2CLPAR1LPAR3
SCHEMBL2233210 0.77 PLA2G2C (0.53) PLA2G2CLPAR1LPAR3
SCHEMBL18670474 0.77 PLA2G2C (0.47) PLA2G2CLPAR3S1PR2S1PR1S1PR3
SCHEMBL10607739 0.77 PLA2G2C (0.74) PLA2G2CPLA2G2DLPAR1LPAR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053800-A2 CHARGE-MODIFIED LYSOZYME ANTIMICROBIAL COMPOSITIONS, SURFACTANTS, AND METHODS FOR INFECTIONS AND CYSTIC FIBROSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-05-10 WO disclosed
EP-0958380-A4 MACROMOLECULE-LIPID COMPLEXES AND METHODS FOR MAKING AND USING UNIV CALIFORNIA (US) 2004-03-17 EP disclosed
WO-2000000033-A1 MACROMOLECULE-LIPID COMPLEXES AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-01-06 WO disclosed
EP-0958380-A1 MACROMOLECULE-LIPID COMPLEXES AND METHODS FOR MAKING AND USING The Regents of The University of California (US) 1999-11-24 EP disclosed
WO-1998024936-A9 MACROMOLECULE-LIPID COMPLEXES AND METHODS FOR MAKING AND USING 1998-10-01 WO disclosed
WO-1998024936-A1 MACROMOLECULE-LIPID COMPLEXES AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-06-11 WO disclosed