SCHEMBL25842811

SCHEMBL25842811

CC1(C)c2ccccc2-c2cccc(-c3ccc4cccc5c4c3-c3ccccc3O5)c21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TYMS P04818 3/20 0.37
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SETD7 Q8WTS6 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
SCHEMBL25842622 0.90 MAPK1 (0.49) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25843531 0.85 KDM4E (0.43) MAPK1ATMKDM4ETYMS
SCHEMBL25843056 0.85 KDM4E (0.43) MAPK1ATMKDM4ETYMS
SCHEMBL25843222 0.84 KDM4E (0.42) MAPK1ATMKDM4ETYMS
SCHEMBL25841794 0.83 MAPK1 (0.50) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25842812 0.81 MAPK1 (0.47) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25862944 0.81 KDM4E (0.47) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25843153 0.81 KDM4E (0.44) MAPK1ATMKDM4ETYMS
SCHEMBL25842979 0.80 MAPK1 (0.50) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25843740 0.80 KDM4E (0.43) MAPK1ATMKDM4ETYMS

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