SCHEMBL29026531

SCHEMBL29026531

O=C(Cl)OCC1CCCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 6/20 0.39
CHRNA4 P43681 6/20 0.39
CHRNA7 P36544 5/20 0.39
CHRNA5 P30532 3/20 0.39
RAB9A P51151 1/20 0.36
LTA4H P09960 3/20 0.33
FFAR1 O14842 2/20 0.33
CHRM3 P20309 2/20 0.33
CYP2D6 P10635 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ACE P12821 2/20 0.32

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
SCHEMBL20399304 1.00 POLB (0.42) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL20399403 1.00 POLB (0.42) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL20399966 0.95 L3MBTL1 (0.37) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL22370610 0.89 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL15608178 0.80 POLB (0.46) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL13740550 0.80 POLB (0.46) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL3178302 0.79 POLB (0.44) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL28393769 0.79 POLB (0.44) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL16612137 0.79 POLB (0.44) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL3182268 0.79 POLB (0.44) POLBL3MBTL1CHRNB2CHRNA4CHRNA7

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
CN-115151553-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-10-04 CN disclosed