SCHEMBL9430465

SCHEMBL9430465

CCCCCCCCc1ccccc1CCCCCCCC.O=C(O)CC(C(=O)O)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.49
CYSLTR1 Q9Y271 9/20 0.49
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
PPARA Q07869 2/20 0.45
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
LIPG Q9Y5X9 1/20 0.44

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
SCHEMBL30753414 0.92 BID (0.50) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL8762736 0.92 BID (0.50) CYSLTR2CYSLTR1PPARABIDMCL1
SCHEMBL18140677 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR2S1PR1PPARA
SCHEMBL18140777 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR2S1PR1PPARA
SCHEMBL18139137 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR2S1PR1PPARA
SCHEMBL18140935 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR2S1PR1PPARA
SCHEMBL18140772 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR2S1PR1PPARA
SCHEMBL18139386 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR2S1PR1PPARA
SCHEMBL6717695 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR2S1PR1PPARA
SCHEMBL18141777 0.91 CYSLTR2 (0.44) CYSLTR2CYSLTR1S1PR2S1PR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298552-A Mixed with chlorinated polyolefin nonionic surfactant and dispersion of ethylene-viny acetate copolymer HIMONT INCORPORATED (US) 1994-03-29 US disclosed
EP-0510378-A2 Water based adhesive compositions for polyolefins MONTELL NORTH AMERICA INC. (US) 1992-10-28 EP disclosed