SCHEMBL2416271

SCHEMBL2416271

CC(C)c1cccc(N(CCOCc2ccccc2)CCc2csc(SC(C)(C)C(=O)O)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.36
▸ DDR2 Q16832 4/20 0.36
▸ PPARG P37231 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ CTSB P07858 2/20 0.32
▸ SLC16A3 O15427 1/20 0.31
▸ SLC16A1 P53985 1/20 0.31
▸ MCTS1 Q9ULC4 1/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.30
▸ CYSLTR1 Q9Y271 1/20 0.30

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
SCHEMBL2408602 0.90 MAPK14 (0.39) MAPK14DDR2PPARGPPARACTSB
SCHEMBL2413912 0.90 MAPK14 (0.37) MAPK14DDR2PPARGPPARAPPARD
SCHEMBL2417271 0.85 PPARA (0.37) MAPK14DDR2PPARGPPARAPPARD
SCHEMBL2415495 0.83 MAPK14 (0.36) MAPK14DDR2CTSB
SCHEMBL2410789 0.82 PPARA (0.32) PPARGPPARAPPARD
SCHEMBL2410793 0.82 PPARA (0.32) PPARGPPARAPPARD
SCHEMBL2413472 0.82 MAPK14 (0.36) MAPK14DDR2PPARGPPARAPPARD
SCHEMBL2412840 0.82 MAPK14 (0.36) MAPK14DDR2PPARGPPARAPPARD
SCHEMBL2413999 0.81 MAPK14 (0.41) MAPK14DDR2PPARGPPARAPPARD
SCHEMBL2416901 0.80 MAPK14 (0.36) MAPK14DDR2PPARGPPARAPPARD

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 claimed
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