SCHEMBL2415495

SCHEMBL2415495

CC(C)(Sc1nc(CCN(CCOCc2ccccc2)c2ccccc2F)cs1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.36
▸ DDR2 Q16832 4/20 0.35
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CTSB P07858 1/20 0.31

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
SCHEMBL2412840 0.92 MAPK14 (0.36) MAPK14DDR2SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL2413472 0.89 MAPK14 (0.36) MAPK14DDR2LMNAKDM4ESLC22A12
SCHEMBL2416901 0.89 MAPK14 (0.36) MAPK14DDR2LMNASMN1; SMN2KDM4E
SCHEMBL2408602 0.88 MAPK14 (0.39) MAPK14DDR2LMNAL3MBTL1CYP1A2
SCHEMBL2413999 0.86 MAPK14 (0.41) MAPK14DDR2SMN1; SMN2KDM4EL3MBTL1
SCHEMBL2413912 0.85 MAPK14 (0.37) MAPK14DDR2
SCHEMBL2417271 0.83 PPARA (0.37) MAPK14DDR2LMNAKDM4EL3MBTL1
SCHEMBL2418172 0.83 MAPK14 (0.39) MAPK14DDR2SLC22A12L3MBTL1CYP1A2
SCHEMBL2416271 0.83 MAPK14 (0.36) MAPK14DDR2CTSB
SCHEMBL2414890 0.79 MAPK14 (0.37) MAPK14DDR2L3MBTL1

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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