SCHEMBL489352

SCHEMBL489352

C=C(C=CCC(CCCCCCCCC)c1ccccc1C=O)OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.36
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
PPARA Q07869 1/20 0.33
SLC37A4 O43826 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL489102 0.90 CYSLTR2 (0.34) PPARGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL1332960 0.76 CYSLTR2 (0.45) PPARGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL490156 0.74 ALDH1A1 (0.40) PPARGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL9857565 0.73 CYSLTR2 (0.40) PPARGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL6882280 0.73 CYSLTR2 (0.43) PPARGCYSLTR2CYSLTR1
SCHEMBL489694 0.72 LMNA (0.47)
SCHEMBL15266613 0.72 PPARG (0.47) PPARGCYSLTR2CYSLTR1PPARAPSEN1
SCHEMBL1856281 0.71 CYSLTR2 (0.38) PPARGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL1880780 0.71 CYSLTR2 (0.40) CYSLTR2CYSLTR1
SCHEMBL8082979 0.71 PPARG (0.45) PPARGCYSLTR2CYSLTR1PPARA

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-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed