SCHEMBL30286018

SCHEMBL30286018

COCOc1ccc(Cc2c(Cl)cc(C=O)cc2Cl)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.44
THRA P10827 6/20 0.44
TACR2 P21452 1/20 0.36
ALDH1A1 P00352 7/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
RORC P51449 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
FDPS P14324 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4196600 0.87 THRB (0.43) THRBTHRATACR2FDPS
SCHEMBL30286039 0.85 THRB (0.47) THRBTHRAALDH1A1RORCTDP1
SCHEMBL25949873 0.84 THRB (0.44) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL4215849 0.84 THRB (0.49) THRBTHRARORC
SCHEMBL29970905 0.84 THRB (0.49) THRBTHRARORC
SCHEMBL24132943 0.84 THRA (0.45) THRBTHRATACR2ALDH1A1MAPT
SCHEMBL25338282 0.83 THRB (0.49) THRBTHRAMAPTRORCHPGD
SCHEMBL25950441 0.83 THRB (0.38) THRBTHRATACR2
SCHEMBL25949875 0.80 THRB (0.44) THRBTHRAMEN1KMT2AL3MBTL1
SCHEMBL3165436 0.79 THRB (0.59) THRBTHRARORC

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-115916740-A Thyromimetic agents 速通医疗公司 2023-04-04 CN disclosed