SCHEMBL29970124

SCHEMBL29970124

COCOc1ccc(I)cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ P2RX3 P56373 5/20 0.31
▸ P2RX2 Q9UBL9 5/20 0.31
▸ THRB P10828 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ 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
SCHEMBL19617651 1.00 GABRA1 (0.37) GABRA1GABRB1GABRB2MEN1CYP1A2
SCHEMBL19121870 0.84 GABRA1 (0.41) GABRA1GABRB1GABRB2MEN1CYP1A2
SCHEMBL24133302 0.81 LMNA (0.40) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL30285983 0.80 GABRA1 (0.43) GABRA1GABRB1GABRB2MEN1KMT2A
SCHEMBL6774835 0.80 GABRA1 (0.43) GABRA1GABRB1GABRB2MEN1KMT2A
SCHEMBL27645331 0.79 GAA (0.45) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17034855 0.79 GAA (0.40) GABRA1GABRB1CYP1A2LMNATHRB
SCHEMBL282475 0.79 ALDH1A1 (0.47) GABRA1GABRB1MEN1CYP3A4CYP2C9
SCHEMBL18030223 0.78 CYP1A2 (0.39) GABRA1GABRB1GABRB2MEN1CYP1A2
SCHEMBL16978288 0.78 NPSR1 (0.37) MEN1KMT2ALMNAPOLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916214-A Thyromimetic agents 速通医疗公司 2023-04-04 — — CN disclosed
CN-115279359-A Novel thyromimetic agents 速通医疗公司 2022-11-01 — — CN disclosed
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