SCHEMBL25848516

SCHEMBL25848516

CC1(C)c2ccccc2Oc2cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)ccc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PDK2 Q15119 5/20 0.31
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMAD3 P84022 1/20 0.30
PRMT1 Q99873 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
FTO Q9C0B1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL25867951 0.96 PDK2 (0.35) CYP3A4PDK2
SCHEMBL25848428 0.94 PDK2 (0.33) MEN1MAPTHTTKMT2AUSP2
SCHEMBL25848524 0.92 PDK2 (0.33) CYP3A4MEN1MAPTHTTKMT2A
SCHEMBL25848718 0.92 MEN1 (0.34) CYP3A4MEN1MAPTHTTKMT2A
SCHEMBL25864154 0.91 PDK2 (0.35) CYP3A4PDK2
SCHEMBL25848160 0.90 PDK2 (0.36) PDK2
SCHEMBL25848317 0.90 KDM4E (0.31) PDK2
SCHEMBL25856910 0.90 KDM4E (0.37) MEN1MAPTKMT2ALMNAPDK2
SCHEMBL25848170 0.88 PDK2 (0.37) PDK2
SCHEMBL25849633 0.88 MEN1 (0.33) CYP3A4MEN1MAPTHTTKMT2A

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