SCHEMBL3886199

SCHEMBL3886199

O=CB(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
ALDH1A1 P00352 7/20 0.41
ORAI1 Q96D31 2/20 0.41
ORAI2 Q96SN7 2/20 0.41
ORAI3 Q9BRQ5 2/20 0.41
TRPV6 Q9H1D0 2/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL3891289 0.72 CA2 (0.46) LMNAKMT2ATDP1MEN1THRB
SCHEMBL3889692 0.72 LMNA (0.52) LMNAKMT2ATDP1MEN1THRB
Ortho-Phthalaldehyde SCHEMBL28379746 0.71 LMNA (0.93) LMNAKMT2ATDP1MEN1THRB
SCHEMBL1474212 0.71 ORAI1 (0.41) LMNAKMT2ATDP1MEN1THRB
Ammonia Solution, Strong SCHEMBL9784059 0.69 ORAI1 (0.39) ALDH1A1ORAI1ORAI2ORAI3TRPV6
Ortho-Phthalaldehyde SCHEMBL29412642 0.67 LMNA (1.00) LMNAKMT2ATDP1MEN1THRB
Ortho-Phthalaldehyde SCHEMBL33393 0.67 LMNA (1.00) LMNAKMT2ATDP1MEN1THRB
Ortho-Phthalaldehyde SCHEMBL4953869 0.67 LMNA (1.00) LMNAKMT2ATDP1MEN1THRB
SCHEMBL17682412 0.67 ORAI1 (0.38) LMNAORAI1ORAI2ORAI3TRPV6
Phenylboronic Acid SCHEMBL30277120 0.67 ENPP2 (0.74) ORAI1ORAI2ORAI3TRPV6CA4

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