SCHEMBL2049765

SCHEMBL2049765

CCCCc1cccc(CCc2ccccc2)c1CCCC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
EP300 Q09472 1/20 0.43
KAT5 Q92993 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
HSD11B1 P28845 1/20 0.42
HTT P42858 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
KCNH2 Q12809 2/20 0.41
DRD2 P14416 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
HTR1A P08908 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL6546867 0.88 SIGMAR1 (0.50) SIGMAR1EP300KAT5KAT8HSD11B1
SCHEMBL8095518 0.87 TLR8 (0.44) SIGMAR1HSD11B1HTTCYSLTR2CYSLTR1
SCHEMBL12506239 0.86 HTR2A (0.47) SIGMAR1KCNH2DRD2HTR1A
SCHEMBL819273 0.86 LIPG (0.45) EP300KAT5KAT8HTTCYSLTR2
SCHEMBL10917103 0.86 KCNH2 (0.54) SIGMAR1EP300KAT5KAT8HSD11B1
Ammonia Solution, Strong SCHEMBL9810933 0.84 LIPG (0.44) EP300KAT5KAT8HTTCYSLTR2
Water SCHEMBL27341058 0.84 LIPG (0.44) EP300KAT5KAT8HTTCYSLTR2
SCHEMBL8087736 0.83 TLR8 (0.43) SIGMAR1HTTCYSLTR2CYSLTR1LIPG
SCHEMBL29138369 0.83 KAT8 (0.49) EP300KAT5KAT8DRD2OPRM1
SCHEMBL8095162 0.82 TLR8 (0.49) SIGMAR1EP300KAT5KAT8CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822622-B2 Two-component polyurethane coating compositions AXALTA COATING SYSTEMS IP CO., LLC (US) 2014-09-02 US disclosed
EP-2507282-B1 TWO-COMPONENT POLYURETHANE COATING COMPOSITIONS DU PONT (US) 2013-07-17 EP disclosed
EP-2507282-A1 TWO-COMPONENT POLYURETHANE COATING COMPOSITIONS E.I. Du Pont De Nemours And Company (US) 2012-10-10 EP disclosed
US-20120237688-A1 TWO-COMPONENT POLYURETHANE COATING COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-09-20 US disclosed
WO-2011068826-A1 TWO-COMPONENT POLYURETHANE COATING COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 WO disclosed
US-20030199663-A1 Delayed action tin catalysts CROMPTON GMBH (DE) 2003-10-23 US disclosed
EP-1354903-A1 Delayed action tin catalysts Crompton GmbH (DE) 2003-10-22 EP disclosed