SCHEMBL30004193

SCHEMBL30004193

OCCOc1c2c(c(OCCO)c3ccccc13)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
IDO1 P14902 1/20 0.43
GAA P10253 1/20 0.35
PARP1 P09874 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PTGER4 P35408 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NMUR2 Q9GZQ4 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL23271708 1.00 ALDH1A1 (0.44) ALDH1A1RECQLIDO1GAAPARP1
SCHEMBL755890 0.82 ALDH1A1 (0.56) ALDH1A1RECQLIDO1GAAMEN1
SCHEMBL29565866 0.82 ALDH1A1 (0.56) ALDH1A1RECQLIDO1GAAMEN1
SCHEMBL30004258 0.81 KDM4E (0.47) ALDH1A1GAAMEN1KMT2APTGER4
SCHEMBL23271698 0.81 KDM4E (0.47) ALDH1A1GAAMEN1KMT2APTGER4
SCHEMBL30004211 0.81 ALDH1A1 (0.44) ALDH1A1RECQLIDO1GAAMEN1
SCHEMBL5132650 0.81 ALDH1A1 (0.44) ALDH1A1RECQLIDO1GAAMEN1
SCHEMBL23271754 0.80 KCNA3 (0.47) ALDH1A1RECQL
SCHEMBL23271657 0.80 TSHR (0.40) ALDH1A1PARP1MEN1KMT2APTGER4
SCHEMBL23271923 0.80 PTGER4 (0.45) ALDH1A1GAAMEN1KMT2APTGER4

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed