SCHEMBL8712489

SCHEMBL8712489

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.60
CYSLTR2 Q9NS75 7/20 0.60
GPBAR1 Q8TDU6 4/20 0.57
ALOX5 P09917 3/20 0.54
HDAC6 Q9UBN7 1/20 0.54
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
PDE10A Q9Y233 2/20 0.52

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 0.88 GPBAR1 (0.64) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8715478 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8709589 0.85 CYSLTR1 (0.63) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8712488 0.85 GPBAR1 (0.59) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL10410134 0.84 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8651401 0.81 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8646511 0.81 CYSLTR2 (0.63) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL14118468 0.81 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8712494 0.81 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6
SCHEMBL8645769 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1ALOX5HDAC6

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