SCHEMBL6250293

SCHEMBL6250293

C=C(CCOC(=O)NCC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 11/20 0.40
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL6250594 0.89 ACHE (0.43) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL6250767 0.88 ACHE (0.46) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL6252109 0.86 ACHE (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL5165665 0.83 ACHE (0.66) ACHEEPHX1
SCHEMBL6251963 0.81 CHRNB2 (0.47) CHRNB2CHRNA4ACHESMN1; SMN2EPHX1
SCHEMBL6249477 0.81 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL16674069 0.77 ACHE (0.60) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL9403562 0.76 EPHX1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL18124273 0.75 ACHE (0.39) ACHEALDH1A1SMN1; SMN2EPHX1
SCHEMBL6688610 0.75 ACHE (0.60) ACHEEPHX1

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