SCHEMBL4429920

SCHEMBL4429920

O=C=NCCC(CCl)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CPN1 P15169 1/20 0.30
CPB2 Q96IY4 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
SCHEMBL49062 0.80 CA2 (0.50) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL10658816 0.78 FOLH1 (0.39) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4333917 0.77 FOLH1 (0.41) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4751047 0.76 GRIK1 (0.44) FOLH1
SCHEMBL28441117 0.75 CHRM1 (0.46) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11577117 0.72 CPB2 (0.41) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL15158083 0.71 GABRR1 (0.46) FOLH1
SCHEMBL5678319 0.71
SCHEMBL6721744 0.69
SCHEMBL4429926 0.69 SLC22A6 (0.32) FOLH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632965-B2 Method for producing (meth)acrylate derivative having isocyanate group SHOWA DENKO K.K. (JP) 2009-12-15 US disclosed
US-20070197762-A1 Method For Producing (Meth)Acrylate Derivative Having Isocyanate Group SHOWA DENKO K.K. (JP) 2007-08-23 US disclosed