SCHEMBL14445954

SCHEMBL14445954

CCCn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
CYP1A2 P05177 2/20 0.39
SCN5A Q14524 1/20 0.39
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
F2RL3 Q96RI0 1/20 0.38

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
SCHEMBL4677624 0.87 GCGR (0.41) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL2425237 0.85 GCGR (0.43) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL508428 0.84 MAPT (0.45) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL4682811 0.83 TLR8 (0.41) ALDH1A1KDM2BKDM4CADORA3
SCHEMBL14445949 0.81 GCGR (0.51) GCGRMAPT
SCHEMBL4682127 0.81 GCGR (0.53) GCGRGAAMAPTALDH1A1RECQL
SCHEMBL5549267 0.78 MAPT (0.44) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL4685132 0.78 MAPT (0.42) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL2424125 0.77 MAPT (0.44) GCGRKDM4EGAAMAPTMAPK1
SCHEMBL2424870 0.77 GCGR (0.42) GCGRKDM4EGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed