SCHEMBL2413472

SCHEMBL2413472

CC(C)(Sc1nc(CCN(CCOCc2ccccc2)c2cccc3ccccc23)cs1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.36
▸ DDR2 Q16832 2/20 0.36
▸ SLC22A12 Q96S37 2/20 0.34
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CTSB P07858 1/20 0.30
▸ PPARD Q03181 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
SCHEMBL2415495 0.89 MAPK14 (0.36) MAPK14DDR2SLC22A12L3MBTL1KDM4E
SCHEMBL2416901 0.88 MAPK14 (0.36) MAPK14DDR2PPARGPPARAL3MBTL1
SCHEMBL2408602 0.88 MAPK14 (0.39) MAPK14DDR2PPARGPPARAL3MBTL1
SCHEMBL2413999 0.85 MAPK14 (0.41) MAPK14DDR2PPARGPPARAL3MBTL1
SCHEMBL2412840 0.84 MAPK14 (0.36) MAPK14DDR2PPARGPPARAL3MBTL1
SCHEMBL2413912 0.84 MAPK14 (0.37) MAPK14DDR2PPARGPPARAPPARD
SCHEMBL2418172 0.82 MAPK14 (0.39) MAPK14DDR2SLC22A12PPARGPPARA
SCHEMBL2416271 0.82 MAPK14 (0.36) MAPK14DDR2PPARGPPARACTSB
SCHEMBL2417271 0.81 PPARA (0.37) MAPK14DDR2PPARGPPARAL3MBTL1
SCHEMBL2414890 0.78 MAPK14 (0.37) MAPK14DDR2PPARAL3MBTL1PPARD

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
Send feedback