SCHEMBL1820649

SCHEMBL1820649

CCCc1ccc(OC(C)(C(=O)NCl)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
PPARA Q07869 10/20 0.45
PPARG P37231 9/20 0.43
PPARD Q03181 3/20 0.43
ALDH1A1 P00352 1/20 0.43
FABP2 P12104 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ADRB3 P13945 3/20 0.42

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
SCHEMBL1823516 0.85 PPARA (0.45) PPARAPPARGALDH1A1FABP2SMN1; SMN2
SCHEMBL1821326 0.79 PPARG (0.45) KIF11PPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL1820464 0.76 NPC1 (0.42) KIF11PPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL1824799 0.74 MCL1 (0.45) PPARAPPARGALDH1A1KDM4EMAPT
SCHEMBL1818640 0.71 HDAC3 (0.58) PPARAPPARG
SCHEMBL1819039 0.71 PPARA (0.46) PPARAPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL1822481 0.71 BCHE (0.48) PPARAPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL1818949 0.70 KDM4E (0.44) PPARAPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL1821867 0.70 PPARA (0.45) PPARAPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL1819315 0.70 ALDH1A1 (0.40) PPARAPPARGALDH1A1SMN1; SMN2KDM4E

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