SCHEMBL28434613

SCHEMBL28434613

CC(C)(Oc1ccc(Cl)cc1)C(=O)OC(COC(=O)c1cccnc1)Cc1ncccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.41
▸ LMNA P02545 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CNR1 P21554 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ ABCB11 O95342 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ PMP22 Q01453 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADRB3 P13945 1/20 0.39

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
Binifibrate SCHEMBL29388376 0.87 KMT2A (0.51) KMT2ALMNAALDH1A1MEN1USP2
Binifibrate SCHEMBL49116 0.87 KMT2A (0.51) KMT2ALMNAALDH1A1MEN1USP2
SCHEMBL22607962 0.80 ALDH1A1 (0.49) KMT2ALMNAALDH1A1MEN1USP2
Binifibrate SCHEMBL3959320 0.77 LMNA (0.52) KMT2ALMNAALDH1A1MEN1USP2
Etofibrate SCHEMBL8168409 0.75 L3MBTL1 (0.55) KMT2ALMNAALDH1A1MEN1USP2
Etofibrate SCHEMBL29801484 0.75 L3MBTL1 (0.55) KMT2ALMNAALDH1A1MEN1USP2
Etofibrate SCHEMBL3122 0.75 L3MBTL1 (0.55) KMT2ALMNAALDH1A1MEN1USP2
SCHEMBL3090302 0.74 PPARA (0.53) KMT2ALMNAALDH1A1MEN1USP2
Etofibrate SCHEMBL1649349 0.74 L3MBTL1 (0.54) KMT2ALMNAALDH1A1MEN1USP2
SCHEMBL3091124 0.74 PPARA (0.50) KMT2ALMNAALDH1A1MEN1USP2

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-111511402-A Agent for preventing and/or treating cataract, pharmaceutical composition for preventing and/or treating cataract, use of PPAR activator for producing the same, and eye drop 国立大学法人福井大学 2020-08-07 — — CN disclosed
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