SCHEMBL8732964

SCHEMBL8732964

CCCC(OC(=O)O)C(C)(C)CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL607809 0.76 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1658576 0.75 TSHR (0.32) TSHR
SCHEMBL703992 0.73 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2034277 0.72 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8735848 0.71 PTGS1 (0.32) PRKCA
SCHEMBL609003 0.69 TSHR (0.35) CA2MAPK1TSHR
SCHEMBL17023644 0.68 GABRR1 (0.40)
SCHEMBL28605706 0.68 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1834073 0.68 HDAC1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29602658 0.68 HDAC1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638541-B1 Process for the production of dialkyl carbonate MITSUBISHI GAS CHEMICAL CO (JP) 1998-04-15 EP disclosed
US-5489702-A Process for the production of dialkyl carbonate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-02-06 US disclosed
EP-0638541-A1 Process for the production of dialkyl carbonate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-02-15 EP disclosed