SCHEMBL9613875

SCHEMBL9613875

O=C(O)C(CCCCCc1ccccc1)SCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TRPA1 O75762 1/20 0.50
CYSLTR2 Q9NS75 4/20 0.49
CYSLTR1 Q9Y271 4/20 0.49
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
ALOX5 P09917 3/20 0.45
PTGES O14684 2/20 0.45
PPARG P37231 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 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
SCHEMBL9613997 0.92 PPARA (0.50) MAPTRXFP1TRPA1CYSLTR2CYSLTR1
SCHEMBL9614100 0.92 PPARA (0.50) MAPTRXFP1TRPA1CYSLTR2CYSLTR1
SCHEMBL1863852 0.86 PPARG (0.45) CYSLTR2CYSLTR1PPARGSMN1; SMN2
SCHEMBL10420689 0.83 PPARG (0.53) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL9696793 0.82 PPARA (0.43) CYSLTR2CYSLTR1ALOX5PTGESPPARG
SCHEMBL1858556 0.82 GRIK1 (0.49) MAPTRXFP1ALOX5PTGESPPARG
SCHEMBL5511989 0.79 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL7102236 0.79 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL11291692 0.79 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL11294877 0.79 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4

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-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed