SCHEMBL25868275

SCHEMBL25868275

CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)-c3cccc5cccc(c35)O4)cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
ATM Q13315 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TYMS P04818 2/20 0.37
PDK2 Q15119 5/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL25843148 0.96 MAPK1 (0.51) MAPK1ATMKDM4ETYMSPDK2
SCHEMBL25868726 0.95 MAPK1 (0.50) MAPK1ATMKDM4ETYMSPDK2
SCHEMBL25870080 0.94 MAPK1 (0.49) MAPK1ATMKDM4ETYMSPDK2
SCHEMBL22969119 0.91 KDM4E (0.46) MAPK1ATMKDM4ETYMS
SCHEMBL24824092 0.90 ATM (0.50) MAPK1ATMKDM4ETYMSPDK2
SCHEMBL25860067 0.89 MAPK1 (0.49) MAPK1ATMKDM4ETYMSPDK2
SCHEMBL25868139 0.89 MAPK1 (0.49) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25842708 0.89 MAPK1 (0.51) MAPK1ATMKDM4ETYMSPDK2
SCHEMBL25842876 0.89 MAPK1 (0.51) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25868279 0.88 MAPK1 (0.53) MAPK1ATMKDM4ETYMSPDK2

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
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed