SCHEMBL29210809

SCHEMBL29210809

CC(C)(C)Oc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KIF11 P52732 1/20 0.36
ACACB O00763 2/20 0.33
RIPK1 Q13546 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
PPARA Q07869 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 2/20 0.32
ABCB11 O95342 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL26746 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL16922645 0.82 RELA (0.50) MEN1KMT2APPARA
SCHEMBL11888441 0.81 ACACB (0.38) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL21131902 0.79 MEN1 (0.46) KIF11RIPK1MEN1KMT2ACYP1A2
SCHEMBL9156600 0.78 ALDH1A1 (0.41) KIF11RIPK1MEN1KMT2ACYP1A2
SCHEMBL198046 0.76 RIPK1 (0.43) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL19339945 0.76 MAPT (0.44) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL18866585 0.76 MAPT (0.44) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL15869220 0.75 ACACB (0.44) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL5285766 0.74 CA1 (0.61) MEN1KMT2ACYP3A4KDM4EMAPT

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
CN-114341104-B Dopant and conductive composition, and method for producing same 国立大学法人东京大学 2024-03-15 CN disclosed