SCHEMBL4553247

SCHEMBL4553247

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
CASP1 P29466 1/20 0.43
CYP2C8 P10632 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
P2RY14 Q15391 5/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MMP12 P39900 1/20 0.40
MAP4K4 O95819 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL8842864 0.84 KMO (0.56) SRD5A2
SCHEMBL28093059 0.82 CA12 (0.49) ADORA3MAPTMMP12
SCHEMBL15083062 0.80 MAPK14 (0.43) CASP1MAPT
SCHEMBL6843818 0.80 TP53 (0.44) TP53POLBMAPT
SCHEMBL12151041 0.79 MAPT (0.52) PPARDPPARAADORA3MAPTMMP12
SCHEMBL6740513 0.79 ALAD (0.51) CASP1TP53POLBMAPT
SCHEMBL6668534 0.79 ALAD (0.51)
SCHEMBL11000258 0.75 ALPL (0.52) MAPT
SCHEMBL11288811 0.74 KMO (0.56)
SCHEMBL12151187 0.73 KIF11 (0.42) PPARDPPARAADORA3MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010289-A2 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 EP disclosed
WO-2007121432-A2 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
US-5674887-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
EP-0578477-B1 Treatment of inflammatory bowel disease LILLY CO ELI (US) 1996-06-19 EP disclosed
US-5436258-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1995-07-25 US disclosed
EP-0587378-A1 Prevention of bone resorption ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed
US-5294630-A Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
EP-0578477-A1 Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-01-12 EP disclosed
US-4544752-A TREATMENT OF GOUT; ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1985-10-01 US disclosed
EP-0048615-B1 IMPROVEMENTS IN OR RELATING TO 3-ARYL-5-ISOTHIAZOLE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4346094-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0048615-A1 Improvements in or relating to 3-aryl-5-isothiazole derivatives ELI LILLY AND COMPANY (US) 1982-03-31 EP disclosed