SCHEMBL1386760

SCHEMBL1386760

CCCCc1ccc2c(c1C(=O)OC(F)c1ccccc1)Cc1ccccc1O2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
CYSLTR2 Q9NS75 5/20 0.31
CYSLTR1 Q9Y271 5/20 0.31
ACSL1 P33121 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL6545300 0.86 ACSL1 (0.32) ACSL1MAOAMAOB
SCHEMBL135629 0.83 BID (0.43) PPARAPPARGMAOAMAOB
SCHEMBL7189428 0.82 MAOA (0.36) PPARAPPARGACSL1MAOAMAOB
SCHEMBL9849388 0.80 TDP1 (0.39) CYSLTR2CYSLTR1MAOAMAOB
O-Xylene SCHEMBL6676431 0.79 BID (0.40) PPARAPPARGMAOAMAOB
P-Xylene SCHEMBL7186308 0.79 BID (0.40) PPARAPPARGMAOAMAOB
SCHEMBL2501503 0.79 BID (0.50) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL2197127 0.79 BID (0.50) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL9055787 0.79 BID (0.50) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL2811299 0.79 BID (0.50) PPARAPPARGCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4774505-B2 2011-09-14 JP claimed
EP-1373238-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-01-02 EP claimed
WO-2002079179-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO claimed