SCHEMBL6233869

SCHEMBL6233869

CCCCCCCCCCCCCCc1ccccc1C(CCCCCCCCCCCCC)S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.54
CYSLTR1 Q9Y271 9/20 0.54
LIPG Q9Y5X9 1/20 0.46
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL7786021 1.00 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGS1PR2S1PR1
SCHEMBL7783840 1.00 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGS1PR2S1PR1
SCHEMBL7784183 1.00 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGS1PR2S1PR1
SCHEMBL7787180 0.90 CYSLTR2 (0.52) CYSLTR2CYSLTR1LIPGS1PR2S1PR1
SCHEMBL7779143 0.86 CYSLTR2 (0.40) CYSLTR2CYSLTR1S1PR2S1PR1S1PR3
SCHEMBL7784184 0.85 CYSLTR2 (0.40) CYSLTR2CYSLTR1S1PR2S1PR1S1PR3
SCHEMBL7784187 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGS1PR2S1PR1
SCHEMBL28355511 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGS1PR2S1PR1
SCHEMBL7779109 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGS1PR2S1PR1
SCHEMBL7786409 0.83 PRSS1 (0.42) CYSLTR2CYSLTR1

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-1309631-B1 ALKYLARYL AND ARYLALKYL MONOSULFONIC ACID CATALYSTS FOR CROSSLINKING POLYETHYLENE KING INDUSTRIES INC (US) 2005-04-27 EP claimed