SCHEMBL3889692

SCHEMBL3889692

CB(C=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 6/20 0.48
TSHR P16473 1/20 0.48
CYP2A6 P11509 3/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ORAI1 Q96D31 2/20 0.38
ORAI2 Q96SN7 2/20 0.38

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
Ortho-Phthalaldehyde SCHEMBL28379746 0.74 LMNA (0.93) LMNAKMT2AMEN1THRBBLM
SCHEMBL3886199 0.72 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL28220874 0.72 ALDH1A1 (0.36) LMNAKMT2AMEN1THRBBLM
SCHEMBL10182550 0.72 ORAI1 (0.36) LMNAKMT2AMEN1THRBBLM
Water SCHEMBL27785293 0.70 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
Ortho-Phthalaldehyde SCHEMBL4953869 0.70 LMNA (1.00) LMNAKMT2AMEN1THRBBLM
Ortho-Phthalaldehyde SCHEMBL33393 0.70 LMNA (1.00) LMNAKMT2AMEN1THRBBLM
Ortho-Phthalaldehyde SCHEMBL29412642 0.70 LMNA (1.00) LMNAKMT2AMEN1THRBBLM
Ortho-Phthalaldehyde SCHEMBL29266013 0.69 LMNA (0.81) LMNAKMT2AMEN1THRBBLM
Ortho-Phthalaldehyde SCHEMBL9628156 0.69 LMNA (0.81) LMNAKMT2AMEN1THRBBLM

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