SCHEMBL30285802

SCHEMBL30285802

CCC(=O)Nc1cc(C)c(Cc2ccc(O)c(C(C)c3ccc(F)cc3)c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.47
THRB P10828 12/20 0.47
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30483303 0.91 THRB (0.52) THRATHRB
SCHEMBL24132132 0.91 THRB (0.52) THRATHRB
SCHEMBL30483270 0.89 THRA (0.45) THRATHRBHPGDMEN1KMT2A
SCHEMBL24132129 0.89 THRA (0.45) THRATHRBHPGDMEN1KMT2A
SCHEMBL25949916 0.87 THRB (0.41) THRATHRBSMN1; SMN2
SCHEMBL30285992 0.81 THRB (0.56) THRATHRBGAAHTTKDM4E
SCHEMBL24132137 0.81 THRB (0.56) THRATHRBGAAHTTKDM4E
SCHEMBL24132131 0.80 THRB (0.48) THRATHRBALDH1A1GAAHTT
SCHEMBL30483308 0.80 THRB (0.48) THRATHRBALDH1A1GAAHTT
SCHEMBL24132696 0.80 THRB (0.46) THRATHRB

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