SCHEMBL3955069

SCHEMBL3955069

CCOc1cccc(N=C=O)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.38
DAO P14920 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PABPC1 P11940 1/20 0.36
CYP2A6 P11509 1/20 0.36
GRK6 P43250 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9491190 0.90 CYP3A4 (0.53) CYP3A4GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL2170759 0.87 GABRA1 (0.49) CYP3A4GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL30075523 0.84 CYP3A4 (0.47) CYP3A4GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL1021154 0.84 CYP3A4 (0.47) CYP3A4GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL15352051 0.83 CYP3A4 (0.61) CYP3A4GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL9622719 0.82 GABRA1 (0.55) CYP3A4GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL9743429 0.82 GABRA1 (0.44) CYP3A4GABRA1GABRB2ALDH1A1TDP1
SCHEMBL27700899 0.82 CYP3A4 (0.46) CYP3A4GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL160030 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL10912366 0.78 ALDH1A1 (0.38) CYP3A4GABRA1GABRB2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed