SCHEMBL28840792

SCHEMBL28840792

O=C(O)CCCn1cc(CC(=O)O)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.73
MCL1 Q07820 5/20 0.64
TERT O14746 4/20 0.60
ICMT O60725 1/20 0.56
FABP4 P15090 1/20 0.56
FABP5 Q01469 1/20 0.56
CREBBP Q92793 1/20 0.56
PLK1 P53350 4/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TBXAS1 P24557 1/20 0.53

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
SCHEMBL28370235 0.88 CDC25A (0.73) CDC25AMCL1TERTICMTPLK1
SCHEMBL15747729 0.87 CDC25A (0.90) CDC25AMCL1ICMTPLK1ALDH1A1
SCHEMBL2429439 0.86 CDC25A (0.97) CDC25AMCL1ICMTPLK1ALDH1A1
SCHEMBL29379289 0.85 CDC25A (0.68) CDC25AMCL1TERTICMTCREBBP
SCHEMBL2465449 0.85 CDC25A (0.68) CDC25AMCL1TERTICMTCREBBP
SCHEMBL15747697 0.85 CDC25A (1.00) CDC25AMCL1ICMTPLK1ALDH1A1
SCHEMBL9700510 0.85 CDC25A (1.00) CDC25AMCL1ICMTPLK1ALDH1A1
SCHEMBL29376139 0.84 CDC25A (0.67) CDC25AMCL1TERTICMTCREBBP
SCHEMBL15747715 0.84 CDC25A (0.80) CDC25AMCL1ICMTCREBBPPLK1
SCHEMBL28370205 0.83 CDC25A (0.67) CDC25AMCL1TERTICMTPLK1

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-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed