SCHEMBL25875592

SCHEMBL25875592

CC1(C)c2ccccc2-c2ccc(-c3ccc4c5c(cccc35)-c3cc5ccccc5cc3O4)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
CASP1 P29466 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
CASP7 P55210 1/20 0.32
BACE1 P56817 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
PDK2 Q15119 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
SCHEMBL25875482 0.89 PDK2 (0.35) BACE1PDK2
SCHEMBL19600400 0.89 KDM4E (0.40) MAPK1KDM4EATMENPP3ENPP1
SCHEMBL25859512 0.89 MAPK1 (0.43) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25874626 0.88 MAPK1 (0.36) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25843054 0.88 KDM4E (0.41) MAPK1KDM4EATMPDK2
SCHEMBL19600433 0.88 KDM4E (0.46) MAPK1KDM4EATMENPP3ENPP1
SCHEMBL19600422 0.87 KDM4E (0.37) MAPK1KDM4EATMPDK2
SCHEMBL25875723 0.86 PDK2 (0.37) MAPK1KDM4EATMBACE1PDK2
SCHEMBL25875589 0.86 PDK2 (0.37) MAPK1KDM4EATML3MBTL1BACE1
SCHEMBL25874945 0.85 MAPK1 (0.37) MAPK1KDM4EATMALDH1A1HPGD

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