SCHEMBL3938428

SCHEMBL3938428

CCC(=O)OOc1ccc(Cl)cc1Sc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.40
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
PKM P14618 1/20 0.36
PTGS2 P35354 1/20 0.36
FAAH O00519 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL1331640 0.79 PTGDR2 (0.60) PTGDR2
SCHEMBL1333476 0.78 PTGDR2 (0.48) PTGDR2
SCHEMBL1333649 0.76 TSHR (0.52) PTGDR2
SCHEMBL1331691 0.76 TSHR (0.52) PTGDR2
SCHEMBL1333478 0.76 PTGDR2 (0.45) PTGDR2AVPR2GPR27
SCHEMBL1331693 0.76 TSHR (0.52) PTGDR2
SCHEMBL4768117 0.74 PTGDR2 (0.42) PTGDR2PTGS2FAAHKCNH2
SCHEMBL1333474 0.74 TSHR (0.39) PTGDR2AVPR2GPR27PKMMCOLN3
SCHEMBL2281930 0.74 PTGDR2 (0.40) PTGDR2AVPR2GPR27FAAHKCNH2
SCHEMBL1331687 0.73 MEN1 (0.56) PTGDR2AVPR2GPR27PTGS2FAAH

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
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed