SCHEMBL2408602

SCHEMBL2408602

CC(C)(Sc1nc(CCN(CCOCc2ccccc2)c2ccccc2)cs1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.39
▸ DDR2 Q16832 4/20 0.37
▸ PPARG P37231 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CTSB P07858 2/20 0.33
▸ PPARA Q07869 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL2413912 0.92 MAPK14 (0.37) MAPK14DDR2PPARGPPARA
SCHEMBL2416271 0.90 MAPK14 (0.36) MAPK14DDR2PPARGCTSBPPARA
SCHEMBL2417271 0.89 PPARA (0.37) MAPK14DDR2PPARGL3MBTL1ALDH1A1
SCHEMBL2415495 0.88 MAPK14 (0.36) MAPK14DDR2L3MBTL1LMNACTSB
SCHEMBL2413347 0.88 PPARG (0.38) PPARGLMNAPPARAMAPTCYP1A2
SCHEMBL2413472 0.88 MAPK14 (0.36) MAPK14DDR2PPARGL3MBTL1ALDH1A1
SCHEMBL2416901 0.88 MAPK14 (0.36) MAPK14DDR2PPARGL3MBTL1ALDH1A1
SCHEMBL2418172 0.87 MAPK14 (0.39) MAPK14DDR2PPARGL3MBTL1CTSB
SCHEMBL2413999 0.86 MAPK14 (0.41) MAPK14DDR2PPARGL3MBTL1ALDH1A1
SCHEMBL2412840 0.85 MAPK14 (0.36) MAPK14DDR2PPARGL3MBTL1PPARA

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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