SCHEMBL6377176

SCHEMBL6377176

COC(=O)C(C)(C)Cc1ccc(OC)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ DHODH Q02127 1/20 0.42

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
SCHEMBL6374373 0.82 PPARA (0.53) PPARAPOLBALDH1A1MAPK1KDM4E
SCHEMBL6373707 0.81 KMT2A (0.52) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL6376069 0.80 ALDH1A1 (0.59) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL6376171 0.80 KMT2A (0.51) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL6160019 0.79 KMT2A (0.52) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL27478271 0.78 KMT2A (0.49) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL5332908 0.77 KMT2A (0.57) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL14212007 0.77 ALDH1A1 (0.55) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL23182775 0.76 KMT2A (0.55) MEN1KMT2APOLBALDH1A1TDP1
SCHEMBL21901813 0.76 TSHR (0.54) MEN1KMT2APOLBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1184366-B1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA(PPAR) KYORIN SEIYAKU KK (JP) 2005-02-09 — — EP disclosed
US-6506797-B1 Activate by binding to receptor as ligands of human peroxisome preliferant-activated receptor alpha alpha ), and exhibit potent decreasing action on lipids in blood (cholesterol and triglyceride). KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-01-14 — — US disclosed
EP-1184366-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA(PPAR) KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-03-06 — — EP disclosed
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