SCHEMBL6049401

SCHEMBL6049401

CCCC(C#N)C=C(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3600520 0.85
SCHEMBL1702463 0.74 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL152165 0.72 HDAC1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9180520 0.72 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4045909 0.72 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4045908 0.72 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1238097 0.72 HDAC1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7644311 0.71 GRIK1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9698159 0.71 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
Methyl Alcohol SCHEMBL4653233 0.71 HDAC1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281865-A1 Polymer alloy, crosslinked object, and fuel hose ZEON CORPORATION (JP) 2006-12-14 US disclosed
EP-1640413-A2 POLYMER ALLOY, CROSSLINKED OBJECT, AND FUEL HOSE ZEON CORPORATION (JP) 2006-03-29 EP disclosed
US-6800384-B2 MULTILAYER THERMOPLASTIC RESINS OKAMOTO INDUSTRIES, INC. (JP) 2004-10-05 US disclosed
US-20030190438-A1 Multilayer thermoplastic resins OKAMOTO INDUSTRIES, INC. (JP) 2003-10-09 US disclosed