SCHEMBL12320108

SCHEMBL12320108

CCCCCCCN(CCc1csc(SC(C)(C)C(=O)O)n1)c1ccc(C#N)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.40
▸ SLC22A12 Q96S37 13/20 0.35
▸ HCAR3 P49019 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 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
Trifluoroacetic Acid SCHEMBL2413776 0.97 PPARA (0.38) PPARASLC22A12PPARGPPARD
SCHEMBL12320069 0.97 PPARA (0.40) PPARASLC22A12HCAR3EGLN1PPARG
Trifluoroacetic Acid SCHEMBL2419293 0.93 PPARA (0.38) PPARASLC22A12PPARGPPARD
SCHEMBL2413778 0.89 PPARA (0.31) PPARAKDM4EALDH1A1HPGDHTT
SCHEMBL12274371 0.89 PPARA (0.41) PPARASLC22A12PPARGPPARD
SCHEMBL2412574 0.89 PPARA (0.42) PPARASLC22A12PPARGPPARD
Hydrochloric Acid SCHEMBL2414406 0.88 PPARA (0.41) PPARASLC22A12PPARGPPARD
SCHEMBL12274275 0.87 PPARA (0.39) PPARASLC22A12HCAR3PPARGPPARD
SCHEMBL12273833 0.87 PPARA (0.39) PPARASLC22A12HCAR3PPARGPPARD
Hydrochloric Acid SCHEMBL2413565 0.86 PPARA (0.39) PPARASLC22A12HCAR3PPARGPPARD

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
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US disclosed
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