SCHEMBL5335969

SCHEMBL5335969

CC1(c2ccccc2)OCC(O)O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 4/20 0.36
CHRM4 P08173 4/20 0.36
CHRM5 P08912 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1A P35348 2/20 0.33

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
SCHEMBL5156026 0.79 CHRNB2 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL17845052 0.78 CHRNB2 (0.36) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9314380 0.77 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28551735 0.75 ADRA1A (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10590098 0.74 CYP3A4 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL6572340 0.74 CYP3A4 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL19939756 0.74 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28545081 0.74 GRIN1 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11664188 0.74 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9133419 0.74 CHRM2 (0.33) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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-1599594-B1 ENZYMATIC PRODUCTION OF (METH)ACRYLIC ACID ESTERS BASF AG (DE) 2007-05-30 EP claimed
EP-1599594-A1 ENZYMATIC PRODUCTION OF (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP claimed
WO-2004076676-A1 ENZYMATIC PRODUCTION OF (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO claimed