Ethylbenzene

Ethylbenzene

SCHEMBL1553799

CCc1ccccc1.Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.52
ATIC P31939 1/20 0.52
P2RY2 P41231 8/20 0.52
DNPH1 O43598 5/20 0.52
PRKAB2 O43741 1/20 0.51
TRPM2 O94759 1/20 0.51
LDHA P00338 1/20 0.51
ADRB2 P07550 1/20 0.51
SRC P12931 1/20 0.51
ADORA1 P30542 1/20 0.51
P2RY1 P47900 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PDE3A Q14432 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51

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
SCHEMBL19876125 0.90 ATIC (0.62) FBP1ATICP2RY2DNPH1PRKAB2
SCHEMBL29136140 0.90 ATIC (0.62) FBP1ATICP2RY2DNPH1PRKAB2
SCHEMBL188235 0.90 ATIC (0.62) FBP1ATICP2RY2DNPH1PRKAB2
SCHEMBL9240378 0.87 FBP1 (0.55) FBP1ATICP2RY2DNPH1PRKAB2
Cyclohexane SCHEMBL9842969 0.87 ATIC (0.59) FBP1ATICP2RY2DNPH1PRKAB2
SCHEMBL8346987 0.85 FBP1 (0.53) FBP1ATICP2RY2DNPH1PRKAB2
Perflexane SCHEMBL7515566 0.82 ATIC (0.54) FBP1ATICP2RY2DNPH1PRKAB2
SCHEMBL2936680 0.76 ATIC (0.54) FBP1ATICP2RY2DNPH1PRKAB2
SCHEMBL3316711 0.72 ADORA3 (0.75) FBP1P2RY2DNPH1PRKAB2TRPM2
Cytarabine 5'-Phosphate SCHEMBL2681941 0.72 P2RY2 (0.69) P2RY2P2RY6P2RY4

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
US-9309154-B2 Cementitious products and articles of manufacture containing carbon-doped titanium dioxide ITALCEMENTI S.P.A. (IT) 2016-04-12 US disclosed
EP-2488454-B1 CEMENTITIOUS PRODUCTS AND ARTICLES OF MANUFACTURE CONTAINING CARBON-DOPED TITANIUM DIOXIDE ITALCEMENTI SPA (IT) 2015-02-18 EP disclosed
US-20120270721-A1 CEMENTITIOUS PRODUCTS AND ARTICLES OF MANUFACTURE CONTAINING CARBON-DOPED TITANIUM DIOXIDE ITALCEMENTI S.P.A. (IT) 2012-10-25 US disclosed
EP-2488454-A1 CEMENTITIOUS PRODUCTS AND ARTICLES OF MANUFACTURE CONTAINING CARBON-DOPED TITANIUM DIOXIDE ITALCEMENTI S.p.A. (IT) 2012-08-22 EP disclosed
WO-2011045038-A1 CEMENTITIOUS PRODUCTS AND ARTICLES OF MANUFACTURE CONTAINING CARBON-DOPED TITANIUM DIOXIDE ITALCEMENTI S.P.A. (IT) 2011-04-21 WO disclosed
WO-2011045031-A1 PROCESS FOR THE PREPARATION OF CARBON-DOPED TITANIUM DIOXIDE ITALCEMENTI S.P.A. (IT) 2011-04-21 WO disclosed