SCHEMBL933101

SCHEMBL933101

C#CC(O)C(C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
CYP2D6 P10635 3/20 0.52
MAOB P27338 5/20 0.50
CYP1A2 P05177 3/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 5/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1A P35348 1/20 0.46
SNCA P37840 1/20 0.46
OPRK1 P41145 1/20 0.46
PKM P14618 1/20 0.46
TAAR1 Q96RJ0 4/20 0.45
SLC6A2 P23975 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2A6 P11509 1/20 0.45

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
SCHEMBL13534723 0.81 TRPA1 (0.56) TRPA1CYP2D6MAOBTSHRMAOA
SCHEMBL10137757 0.81 TRPA1 (0.56) TRPA1CYP2D6MAOBTSHRMAOA
SCHEMBL19725385 0.79 TRPA1 (0.69) TRPA1CYP2D6CYP1A2MAOAADRA2B
SCHEMBL21852752 0.79 TRPA1 (0.69) TRPA1CYP2D6CYP1A2MAOAADRA2B
SCHEMBL234669 0.79 TRPA1 (0.69) TRPA1CYP2D6CYP1A2MAOAADRA2B
SCHEMBL7823900 0.77 TAAR1 (0.58) TAAR1
SCHEMBL4951816 0.77 TRPA1 (0.67) TRPA1CYP2D6CYP1A2MAOAADRA2B
SCHEMBL15263087 0.77 CYP2D6 (0.62) TRPA1CYP2D6MAOBCYP1A2TSHR
SCHEMBL30934 0.76 TRPA1 (0.77) TRPA1CYP2D6MAOAADRA2BADRA2C
SCHEMBL28278216 0.76 CHRM2 (0.41) TRPA1CYP2D6TSHRCYP3A4ADRA2A

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-2943722-A1 PROTECTIVE COATING FOR LED LAMP Cree, Inc. (US) 2015-11-18 EP disclosed
WO-2014110211-A1 PROTECTIVE COATING FOR LED LAMP CREE, INC. (US) 2014-07-17 WO disclosed
EP-2451286-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-05-16 EP disclosed
EP-2405757-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-01-18 EP disclosed
WO-2011005806-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2011-01-13 WO disclosed
WO-2010104837-A1 FUNCTIONALIZED 4-AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 WO disclosed