SCHEMBL4613657

SCHEMBL4613657

C(=C/c1ccccc1)\CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DHFR P00374 1/20 0.46
SIGMAR1 Q99720 4/20 0.44
IDO1 P14902 2/20 0.44
PAM P19021 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAOA P21397 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL29841331 1.00 NAMPT (0.52) NAMPTGRIN1GRIN2BHRH3DHFR
SCHEMBL4613662 1.00 NAMPT (0.52) NAMPTGRIN1GRIN2BHRH3DHFR
SCHEMBL11335422 0.94 NAMPT (0.48) NAMPTGRIN1GRIN2BHRH3SIGMAR1
SCHEMBL3676805 0.94 NAMPT (0.48) NAMPTGRIN1GRIN2BHRH3SIGMAR1
SCHEMBL29749195 0.87 LMNA (0.54) NAMPTDHFRSIGMAR1EGFR
SCHEMBL31414186 0.87 NAMPT (0.50) NAMPTGRIN1GRIN2BHRH3DHFR
SCHEMBL31414176 0.87 NFE2L2 (0.52) NAMPTGRIN1GRIN2BDHFRSIGMAR1
SCHEMBL31414188 0.87 NAMPT (0.50) NAMPTGRIN1GRIN2BDHFRSIGMAR1
SCHEMBL30742787 0.87 GPR52 (0.48) GRIN1GRIN2BSIGMAR1IDO1PAM
SCHEMBL108688 0.87 GPR52 (0.48) GRIN1GRIN2BSIGMAR1IDO1PAM

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 11 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
CN-113548965-B Preparation method of 1,4 eneyne compound 南京工业大学 2022-07-26 CN disclosed
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
US-4396589-A Alkali metal complex compounds, and their use in the hydrogenation and nitridation of alkali metals STUDIENGESELLSCHAFT KOHLE MBH (DE) 1983-08-02 US disclosed
US-4370488-A CATALYSTS FOR HYDROGENATION OF ALFALI METALS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1983-01-25 US disclosed
US-4301081-A FOR USE AS CATALYST FOR HYDROGENATION OF ALKALI METALS TO HYDRIDES OR NITRIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 1981-11-17 US disclosed
US-4229354-A COMPLEXING WITH COMPOUNDS OF SULFUR OR OXYGEN STUDIENGESELLSCHAFT KOHLE MBH (DE) 1980-10-21 US disclosed
US-3936523-A CROSSLINKED POLYETHYLENE SIEMENS AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed