SCHEMBL30004176

SCHEMBL30004176

Cc1ccc2c(OCCO)c3ccccc3c(OCCO)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
IDO1 P14902 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
KIF11 P52732 1/20 0.37
HPGD P15428 4/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DHPS P49366 2/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGER4 P35408 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL23271780 1.00 EPHX2 (0.47) EPHX2ALDH1A1RECQLIDO1PTGDR2
SCHEMBL11176181 0.85 TSHR (0.51) EPHX2ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL20398447 0.84 EPHX2 (0.42) EPHX2ALDH1A1KIF11HPGDMAPK1
SCHEMBL29565866 0.83 ALDH1A1 (0.56) ALDH1A1RECQLIDO1MAPK1KDM4E
SCHEMBL755890 0.83 ALDH1A1 (0.56) ALDH1A1RECQLIDO1MAPK1KDM4E
SCHEMBL30004171 0.83 EPHX2 (0.41) EPHX2ALDH1A1KIF11HPGDMAPK1
SCHEMBL11165694 0.83 EPHX2 (0.44) EPHX2ALDH1A1KIF11HPGDMAPK1
SCHEMBL20398502 0.83 CYP1A2 (0.43) EPHX2ALDH1A1HPGDKDM4ERAB9A
SCHEMBL23271731 0.83 EPHX2 (0.41) EPHX2ALDH1A1KIF11HPGDMAPK1
SCHEMBL14396286 0.82 ALDH1A1 (0.47) ALDH1A1RECQLIDO1HPGDMAPK1

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