SCHEMBL1821328

SCHEMBL1821328

CCc1cccc(OC(C)(C(N)=O)c2ccccc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
SIGMAR1 Q99720 4/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AMPD2 Q01433 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CNR2 P34972 1/20 0.36
CETP P11597 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL1823517 0.83 MAPT (0.40) PPARGPPARAL3MBTL1SMN1; SMN2POLB
SCHEMBL1822482 0.81 BCHE (0.41) SMN1; SMN2POLBKDM4E
SCHEMBL1820650 0.79 PLA2G1B (0.42) PPARGPPARASMN1; SMN2
SCHEMBL1824801 0.79 MCL1 (0.43) L3MBTL1SMN1; SMN2
SCHEMBL1820465 0.78 KMT2A (0.38) TDP1SMN1; SMN2POLBKDM4E
SCHEMBL1820820 0.77 POLB (0.38) PPARGPPARAMAPK1L3MBTL1TSHR
SCHEMBL1821326 0.72 PPARG (0.45) PPARGPPARAMAPK1L3MBTL1TSHR
SCHEMBL1819393 0.69 PARP1 (0.44) MAPK1TSHRSMN1; SMN2POLBKDM4E
SCHEMBL23666618 0.69 KDM4E (0.43) PPARGPPARAMAPK1L3MBTL1TSHR
SCHEMBL1819713 0.69 MAOB (0.42) POLB

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-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed