SCHEMBL9229583

SCHEMBL9229583

COC(=O)OC(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31

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
SCHEMBL2778898 0.78 RAB9A (0.46) RAB9ACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL208499 0.76
SCHEMBL48007 0.75
SCHEMBL1310229 0.73
SCHEMBL5268185 0.73
Ammonia Solution, Strong SCHEMBL9456636 0.73
SCHEMBL7719771 0.72 ALDH1A1 (0.44) NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL12797751 0.71
SCHEMBL21722468 0.70 CHRNB2 (0.35) RAB9ACHRNB2CHRNA4CHRM2CHRM4
SCHEMBL27714857 0.69 ALDH1A1 (0.41) NPSR1ALDH1A1TSHRSMN1; SMN2

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
JP-7252201-A None JP disclosed
JP-H07252201-A URETHANE COMPOUND TOKUYAMA CORP 1995-10-03 JP disclosed