SCHEMBL2416901

SCHEMBL2416901

COc1ccccc1N(CCOCc1ccccc1)CCc1csc(SC(C)(C)C(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.36
▸ PPARA Q07869 4/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ DDR2 Q16832 3/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ POLB P06746 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
SCHEMBL2413472 0.88 MAPK14 (0.36) MAPK14PPARAPPARGPPARDDDR2
SCHEMBL2417271 0.88 PPARA (0.37) MAPK14PPARAPPARGPPARDDDR2
SCHEMBL2408602 0.88 MAPK14 (0.39) MAPK14PPARAPPARGDDR2ALDH1A1
SCHEMBL2412840 0.86 MAPK14 (0.36) MAPK14PPARAPPARGPPARDDDR2
SCHEMBL2413999 0.85 MAPK14 (0.41) MAPK14PPARAPPARGPPARDDDR2
SCHEMBL2413912 0.82 MAPK14 (0.37) MAPK14PPARAPPARGPPARDDDR2
SCHEMBL2418172 0.82 MAPK14 (0.39) MAPK14PPARAPPARGDDR2L3MBTL1
SCHEMBL2414890 0.78 MAPK14 (0.37) MAPK14PPARAPPARDDDR2L3MBTL1
SCHEMBL14452324 0.76 MAPK14 (0.39) MAPK14PPARADDR2KDM4EL3MBTL1
SCHEMBL2420185 0.75 PPARG (0.43) PPARAPPARGPPARDSMN1; SMN2KDM4E

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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