SCHEMBL25867953

SCHEMBL25867953

CC1(C)c2ccccc2Oc2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.34
FTO Q9C0B1 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
PRMT1 Q99873 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL25867529 0.93 PDK2 (0.35) PDK2
SCHEMBL25847398 0.93 PDK2 (0.36) PDK2FTOMEN1MAPTHTT
SCHEMBL25864082 0.92 PDK2 (0.35) PDK2FTOMEN1MAPTHTT
SCHEMBL25868012 0.90
SCHEMBL25872292 0.88 PDK2 (0.36) PDK2RARBRARGRXRA
SCHEMBL25867816 0.87 PDK2 (0.33) PDK2
SCHEMBL25849438 0.86 PDK2 (0.35) PDK2FTOMEN1MAPTHTT
SCHEMBL25848718 0.86 MEN1 (0.34) PDK2FTOMEN1MAPTHTT
SCHEMBL25847397 0.86 PDK2 (0.37) PDK2
SCHEMBL25849431 0.85 PDK2 (0.38) PDK2FTOMEN1MAPTHTT

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