SCHEMBL25868937

SCHEMBL25868937

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5O6)cc4)cc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PDK2 Q15119 11/20 0.32
GPR84 Q9NQS5 1/20 0.31
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL25868938 0.93 KDM4E (0.36) KDM4EMAPK1ATMGPR84
SCHEMBL25877810 0.93 PDK2 (0.33) ALDH1A1MAPTPDK2GPR84
SCHEMBL25877918 0.92 ALDH1A1 (0.35) ALDH1A1MAPTPDK2GPR84
SCHEMBL25878004 0.92 ALDH1A1 (0.35) ALDH1A1MAPTPDK2GPR84
SCHEMBL25868936 0.90 KDM4E (0.41) KDM4EMAPK1ATMPDK2
SCHEMBL25869941 0.88 KDM4E (0.35) KDM4EMAPK1ATMALDH1A1MAPT
SCHEMBL25879010 0.88 KDM4E (0.34) KDM4EMAPK1ATMMAPTPDK2
SCHEMBL25879166 0.87 KDM4E (0.33) KDM4EMAPK1ATM
SCHEMBL25868563 0.87 KDM4E (0.37) KDM4EMAPK1ATMALDH1A1NPC1
SCHEMBL25903818 0.86 KDM4E (0.43) KDM4EMAPK1ATMPDK2

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