SCHEMBL4612693

SCHEMBL4612693

CC(CC=Cc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.63
TAAR1 Q96RJ0 3/20 0.47
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GMNN O75496 1/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4612689 1.00 HTR2A (0.63) HTR2ATAAR1GRIK1GRIK2LMNA
SCHEMBL28692144 0.81 HTR2A (0.59) HTR2ATAAR1GRIK1GRIK2LMNA
SCHEMBL107852 0.81 HTR2A (0.70) HTR2AGRIK1GRIK2SIGMAR1IDO1
SCHEMBL107851 0.81 HTR2A (0.70) HTR2AGRIK1GRIK2SIGMAR1IDO1
SCHEMBL2170349 0.81 HTR2A (0.70) HTR2AGRIK1GRIK2SIGMAR1IDO1
SCHEMBL14037582 0.81 HTR2A (0.70) HTR2AGRIK1GRIK2SIGMAR1IDO1
SCHEMBL5852562 0.79 TAAR1 (0.50) HTR2ATAAR1
SCHEMBL5852566 0.79 TAAR1 (0.50) HTR2ATAAR1
SCHEMBL14910878 0.79 TAAR1 (0.50) HTR2ATAAR1
SCHEMBL13798152 0.79 HTR2A (0.49) HTR2AGRIK1GRIK2PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288235-B1 Agents for the improvement of the vulcanisation behaviour in the preparation of grafted or crosslinked polymers and filled resins EVONIK DEGUSSA GMBH (DE) 2008-02-20 EP claimed
US-6864323-B2 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSSA AG (DE) 2005-03-08 US claimed
US-20030114604-A1 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSA AG (DE) 2003-06-19 US claimed
US-6864323-B2 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSSA AG (DE) 2005-03-08 US disclosed
US-20030114604-A1 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSA AG (DE) 2003-06-19 US disclosed