SCHEMBL6135481

SCHEMBL6135481

[c]1ccccc1Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
ACP3 P15309 1/20 0.44
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1B P35368 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
LMNA P02545 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
SCHEMBL10611808 0.80 GPR84 (0.44) CYP2C19CYP1A2CYP2C9CYP2D6
SCHEMBL599659 0.77 CYP2C19 (0.62) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL29490353 0.77 CYP2C19 (0.62) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL11328087 0.75 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL11339937 0.75 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
Potassium SCHEMBL29867531 0.75 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
Hydrogen Sulfide SCHEMBL11348128 0.75 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL4667060 0.75 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL659517 0.75 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL659516 0.75 CYP2C19 (0.60) CYP2C19CYP1A2CYP2C9ACP3CYP2D6

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
EP-0278983-B1 DISPERSANT FOR CARBONACEOUS SOLID-WATER SLURRY AND CARBONACEOUS SOLID-WATER SLURRY COMPOSITION CONTAINING SAID DISPERSANT Kawasaki Jukogyo Kabushiki Kaisha (JP) 1993-05-05 EP claimed
CN-106946843-B Preparation method of 3-acyl-1, 4-oxathiolane 北京化工大学 2019-12-31 CN disclosed
EP-1448686-A4 STABILIZED IMAGEABLE COATING COMPOSITION AND PRINTING PLATE PRECURSOR KODAK POLYCHROME GRAPHICS LLC (US) 2005-08-31 EP disclosed
EP-1448686-A1 STABILIZED IMAGEABLE COATING COMPOSITION AND PRINTING PLATE PRECURSOR Kodak Polychrome Graphics LLC (US) 2004-08-25 EP disclosed
WO-2003037972-A1 STABILIZED IMAGEABLE COATING COMPOSITION AND PRINTING PLATE PRECURSOR KODAK POLYCHROME GRAPHICS LLC (US) 2003-05-08 WO disclosed
US-5981206-A STORAGE STABLE DIAGNOSTIC ELEMENT OF ACIDIC BUFFER, NONHYGROSCOPIC ALKALINE EARTH METAL SALT OF AN ARYL PHOSPHATE ESTER, AND A DIAZONIUM OR TETRAZOLIUM SALT JOHNSON & JOHNSON CLINICAL DIAGNOSTIC SYSTEMS, INC. (US) 1999-11-09 US disclosed