SCHEMBL6249673

SCHEMBL6249673

C=C(CCCOC(=O)NC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
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
ACHE P22303 7/20 0.34

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
SCHEMBL6253105 0.95 EPHX1 (0.55) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6251963 0.89 CHRNB2 (0.47) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6250594 0.82 ACHE (0.43) CHRNB2CHRNA4ACHE
SCHEMBL9809313 0.81 TSHR (0.34) EPHX1NFKB1MAPK1LMNASMN1; SMN2
SCHEMBL10575820 0.80 EPHX1 (0.59) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL406198 0.79 ALDH1A1 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6250767 0.77 ACHE (0.46) EPHX1CHRNB2CHRNA4ACHE
SCHEMBL12172818 0.77 EPHX1 (0.71) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL14577464 0.77 EPHX1 (0.40) EPHX1SMN1; SMN2ACHE
SCHEMBL36408 0.76 MGAM (0.39) APEX1

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