SCHEMBL22787490

SCHEMBL22787490

COCCN(CC(=O)C(C)(C)N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL26471962 0.79
SCHEMBL19886267 0.75 PIK3CD (0.35) PIK3CDGABRA1GABRG2GABRB3
SCHEMBL10289399 0.71 PIK3CD (0.48) PIK3CDCA2GABRA1GABRG2GABRB3
SCHEMBL22787492 0.70
SCHEMBL18924283 0.69 PIK3CD (0.39) PIK3CD
SCHEMBL22625743 0.69
SCHEMBL25872871 0.68
SCHEMBL19364040 0.67 PIK3CD (0.38) PIK3CD
SCHEMBL24578095 0.66 PIK3CD (0.40) PIK3CDCA2
SCHEMBL5535641 0.66 PIK3CD (0.40) PIK3CDCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214688-B2 Water-soluble polymeric dyes having pendant chromophores BECTON, DICKINSON AND COMPANY (US) 2022-01-04 US disclosed
US-20200392346-A1 Water-Soluble Polymeric Dyes Having Pendant Chromophores BECTON, DICKINSON AND COMPANY 2020-12-17 US disclosed