SCHEMBL8712488

SCHEMBL8712488

CCC(C(=O)S)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.59
CYSLTR1 Q9Y271 8/20 0.56
CYSLTR2 Q9NS75 6/20 0.56
ALOX5 P09917 6/20 0.56
HDAC6 Q9UBN7 1/20 0.56
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
PDE10A Q9Y233 2/20 0.54

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
SCHEMBL10410643 0.89 GPBAR1 (0.64) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8715482 0.88 CYSLTR2 (0.60) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL10410134 0.87 CYSLTR1 (0.58) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8709586 0.86 GPBAR1 (0.62) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8712489 0.85 CYSLTR1 (0.60) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8646511 0.83 CYSLTR2 (0.63) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8651391 0.81 GPBAR1 (0.65) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL9018916 0.81 ALOX5 (0.67) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL8880806 0.81 CYSLTR1 (0.58) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6
SCHEMBL27696314 0.81 GPBAR1 (0.64) GPBAR1CYSLTR1CYSLTR2ALOX5HDAC6

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
WO-1998014429-A1 HETEROARYLMETHOXYPHENYLTHIOALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1998-04-09 WO disclosed