SCHEMBL25868810

SCHEMBL25868810

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)cc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
PDK2 Q15119 13/20 0.33
TYMS P04818 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 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
SCHEMBL25870086 0.97 KDM4E (0.42) KDM4EMAPK1ATMPDK2TYMS
SCHEMBL25868280 0.96 KDM4E (0.43) KDM4EMAPK1ATMPDK2TYMS
SCHEMBL25868811 0.95 KDM4E (0.40) KDM4EMAPK1ATMTYMS
SCHEMBL25870087 0.92 KDM4E (0.40) KDM4EMAPK1ATMALDH1A1MAPT
SCHEMBL25868281 0.91 KDM4E (0.40) KDM4EMAPK1ATMTYMS
SCHEMBL25868731 0.90 MAPK1 (0.53) KDM4EMAPK1ATMPDK2TYMS
SCHEMBL25879002 0.90 KDM4E (0.41) KDM4EMAPK1ATMPDK2TYMS
SCHEMBL25841659 0.89 MAPK1 (0.54) KDM4EMAPK1ATMPDK2TYMS
SCHEMBL25870084 0.87 MAPK1 (0.51) KDM4EMAPK1ATMPDK2TYMS
SCHEMBL25878905 0.87 MAPK1 (0.51) KDM4EMAPK1ATMPDK2TYMS

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