SCHEMBL3930692

SCHEMBL3930692

CS(=O)(=O)c1ccc(Nc2cc(CF)ccc2OCC(=O)O)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.53
LRRK2 Q5S007 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PTPN1 P18031 1/20 0.40

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
SCHEMBL1332152 0.87 PTGDR2 (0.55) PTGDR2LRRK2
SCHEMBL585644 0.87 PTGDR2 (0.67) PTGDR2TSHRTDP1
SCHEMBL1332534 0.84 PTGDR2 (0.70) PTGDR2PDK1PDK2PDK3PDK4
SCHEMBL5983987 0.83 PTGDR2 (0.52) PTGDR2PDK1PDK2PDK3PDK4
SCHEMBL1333288 0.78 PTGDR2 (0.56) PTGDR2TSHRTDP1
SCHEMBL1333486 0.78 PTGDR2 (0.67) PTGDR2TSHRTDP1
SCHEMBL585482 0.76 PTGDR2 (0.52) PTGDR2LRRK2
SCHEMBL1333312 0.76 PTGDR2 (0.70) PTGDR2
SCHEMBL1333182 0.73 PTGDR2 (0.63) PTGDR2TSHRTDP1
SCHEMBL1332553 0.72 PTGDR2 (0.63) PTGDR2TSHRTDP1

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 claimed