SCHEMBL8538797

SCHEMBL8538797

CCCc1ccccc1C(C(=O)O)C(O)=S

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.43
CYSLTR1 Q9Y271 9/20 0.43
PPARA Q07869 10/20 0.41
PPARG P37231 9/20 0.41
SRC P12931 1/20 0.37

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
SCHEMBL8538648 0.88 HTT (0.41) CYSLTR2CYSLTR1SRC
SCHEMBL8538406 0.81 GABRA1 (0.42) SRC
SCHEMBL4029728 0.78 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL3147481 0.77 SRC (0.46) CYSLTR2CYSLTR1PPARAPPARGSRC
SCHEMBL28315886 0.76 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL10798591 0.75 MMP8 (0.46) CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL20954000 0.75 CYSLTR2 (0.39) CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL8539102 0.75 TSHR (0.50) PPARASRC
SCHEMBL8534617 0.75 GRIK1 (0.36) CYSLTR2CYSLTR1SRC
SCHEMBL6950812 0.74 SRC (0.43) SRC

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed