SCHEMBL27938376

SCHEMBL27938376

CCCc1c(C(F)(F)F)cnc(C(=O)O)c1OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 1/20 0.36
▸ PPARA Q07869 4/20 0.34
▸ PPARG P37231 3/20 0.34
▸ AURKA O14965 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ PDE10A Q9Y233 3/20 0.33
▸ PDE11A Q9HCR9 1/20 0.33
▸ LTC4S Q16873 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL28026221 0.80 PPARA (0.38) PPARAPPARGKMO
SCHEMBL28119309 0.73 ALDH1A1 (0.36) GAANPSR1
SCHEMBL28119307 0.72 PRKAB2 (0.34) KMO
SCHEMBL709545 0.71 ASPH (0.40) ASPHKMOGAANPSR1
SCHEMBL709667 0.71 ASPH (0.40) ASPHL3MBTL1
SCHEMBL28260791 0.71 LTB4R (0.34) PPARAPPARGKMO
SCHEMBL29877864 0.71 ASPH (0.41) ASPHKMONPSR1CTSSL3MBTL1
SCHEMBL22283908 0.69 KMO (0.37) ASPHKMOGAANPSR1L3MBTL1
SCHEMBL31214236 0.68 ASPH (0.41) ASPHLRRK2
SCHEMBL10328704 0.68 ASPH (0.41) ASPHGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674061-A Pyridine derivate 霍夫曼-拉罗奇有限公司 2018-02-09 — — CN claimed
CN-104837831-B Novel pyridine derivatives 霍夫曼-拉罗奇有限公司 2017-10-31 — — CN claimed
CN-106349156-A Pyridine-2-amides capable of being used as CB2 agonist 霍夫曼-拉罗奇有限公司 2017-01-25 — — CN claimed
CN-106349156-B It can be used as the pyridine -2- amides of CB2 agonist 霍夫曼-拉罗奇有限公司 2018-12-11 — — CN disclosed
CN-107674061-A Pyridine derivate 霍夫曼-拉罗奇有限公司 2018-02-09 — — CN disclosed
CN-104837831-B Novel pyridine derivatives 霍夫曼-拉罗奇有限公司 2017-10-31 — — CN disclosed
CN-106349156-A Pyridine-2-amides capable of being used as CB2 agonist 霍夫曼-拉罗奇有限公司 2017-01-25 — — CN disclosed
CN-103608332-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2014-02-26 — — CN disclosed
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