SCHEMBL6249674

SCHEMBL6249674

CNC(=O)OCCC=C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
NFKB1 P19838 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 0.43
CD81 P60033 1/20 0.33
ALOX15 P16050 1/20 0.32
PPARG P37231 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
SCHEMBL6249670 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6253612 0.89 EPHX1 (0.49) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6253615 0.89 EPHX1 (0.49) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6251443 0.88 EPHX1 (0.51) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6253802 0.81 CHRNB2 (0.38) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL27220954 0.81 ALOX15 (0.36) CHRNB2CHRNA4CYP2D6NFKB1LMNA
SCHEMBL406199 0.80 ALOX15 (0.47) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL1696441 0.80 ALOX15 (0.47) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6363352 0.80 CD81 (0.37) CHRM5CYP2D6CHRM1CHRM3CD81
SCHEMBL21404674 0.80 ACHE (0.49) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005047234-A1 METHOD FOR PRODUCING CARBAMATE GROUP-CONTAINING (METH)ACRYLIC ESTERS Röhm GmbH & Co. KG (DE) 2005-05-26 WO disclosed