SCHEMBL3456090

SCHEMBL3456090

CCc1c(C)ccc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.43
NOS3 P29474 1/20 0.43
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PAX8 Q06710 1/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL19412656 0.84 NOS2 (0.48) NOS2NOS3CYP1A2TSHRPOLB
SCHEMBL29373928 0.81 TDP2 (0.34) NOS2NOS3CYP1A2CYP2A6TSHR
SCHEMBL1086573 0.81 TDP2 (0.34) NOS2NOS3CYP1A2CYP2A6TSHR
SCHEMBL28457544 0.81 NOS3 (0.39) NOS2NOS3TDP2NSD2HSP90AA1
SCHEMBL24966173 0.79 ACHE (0.33) NOS2NOS3
SCHEMBL2697021 0.79 NOS3 (0.33) NOS2NOS3TDP2NSD2HSP90AA1
SCHEMBL8801938 0.79 NOS3 (0.33) NOS2NOS3
SCHEMBL2321269 0.79 HTR1D (0.46) NOS2NOS3KDM4ETRPA1ATM
SCHEMBL11717676 0.79 NOS3 (0.33) NOS2NOS3
SCHEMBL17232508 0.79 NOS3 (0.38) NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145522-B2 Enhanced aromatics production by low pressure end point reduction and selective hydrogenation and hydrodealkylation UOP LLC (US) 2015-09-29 US disclosed
US-20150126787-A1 RENEWABLE COMPOSITIONS GEVO, INC. (US) 2015-05-07 US disclosed
US-20140163267-A1 RENEWABLE COMPOSITIONS GEVO, INC. (US) 2014-06-12 US disclosed
US-8546627-B2 Renewable compositions GEVO, INC. (US) 2013-10-01 US disclosed
US-8487149-B2 Renewable compositions GEVO, INC. (US) 2013-07-16 US disclosed
US-20130165719-A1 ENHANCED AROMATICS PRODUCTION BY LOW PRESSURE END POINT REDUCTION AND SELECTIVE HYDROGENATION AND HYDRODEALKYLATION UOP LLC (US) 2013-06-27 US disclosed
US-8378160-B2 Renewable compositions GEVO, INC. (US) 2013-02-19 US disclosed
US-20120323055-A1 RENEWABLE COMPOSITIONS GEVO, INC. (US) 2012-12-20 US disclosed
US-20120259146-A1 RENEWABLE COMPOSITIONS GEVO DEVELOPMENT, LLC 2012-10-11 US disclosed
US-20120238787-A1 RENEWABLE COMPOSITIONS AGRI-ENERGY, LLC 2012-09-20 US disclosed
US-8193402-B2 Making renewable diesel, biogasoline, or renewable jet fuel; also renewable terephthalate; fermentation to C2-C6 alcohols, dehydration to olefins, oligomerization, and optionally, hydrogenation to alkanes GEVO, INC. (US) 2012-06-05 US disclosed
EP-2225351-A2 RENEWABLE COMPOSITIONS GEVO, Inc. (US) 2010-09-08 EP disclosed
US-20090299109-A1 Renewable Compositions GEVO, INC. 2009-12-03 US disclosed
WO-2009079213-A2 RENEWABLE COMPOSITIONS GEVO, INC. (US) 2009-06-25 WO disclosed
US-5157182-A Conversion of ortho-ethyltoluene to indene AMOCO CORPORATION (US) 1992-10-20 US disclosed