SCHEMBL7684246

SCHEMBL7684246

Cc1sc(-c2ccc(Cl)cc2Cl)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 3/20 0.39
SHMT2 P34897 3/20 0.39
PPARA Q07869 7/20 0.37
PPARG P37231 5/20 0.37
PPARD Q03181 4/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
WDR5 P61964 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE11A Q9HCR9 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NLRP1 Q9C000 1/20 0.35
HEXD Q8WVB3 1/20 0.34

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
SCHEMBL6496051 0.92 PPARG (0.41) SHMT1SHMT2PPARAPPARGPPARD
SCHEMBL6496502 0.92 PPARA (0.39) PPARAPPARGPPARDWDR5MAPT
SCHEMBL6496225 0.89 WDR5 (0.36) SHMT1SHMT2PPARAPPARGPPARD
SCHEMBL6504835 0.86 PPARG (0.43) PPARAPPARGPPARD
SCHEMBL7676301 0.86 PPARG (0.43) PPARAPPARGPPARDWDR5
SCHEMBL6505578 0.84 PPARG (0.41) PPARAPPARGPPARD
SCHEMBL6495540 0.83 THRB (0.43) PPARAPPARGPPARDMAPT
SCHEMBL6502884 0.83 PPARG (0.43) PPARAPPARGPPARDKDM4E
SCHEMBL6503008 0.83 PPARG (0.48) PPARAPPARGPPARD
Trifluoroacetic Acid SCHEMBL6495816 0.82 SHMT1 (0.44) SHMT1SHMT2PPARAPPARGPPARD

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
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed