SCHEMBL8102320

SCHEMBL8102320

O=C(O)CC(=O)c1ccc2c(c1)CCS2(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
GPR119 Q8TDV5 5/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KLKB1 P03952 1/20 0.34

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
SCHEMBL6738209 0.83 PTPN1 (0.42) PTGDR2
SCHEMBL8110972 0.82 ALDH1A1 (0.50) PTGDR2CA1CA2CA9
SCHEMBL21028293 0.78 CA1 (0.46) GPR119CA1CA2CA9
SCHEMBL6737923 0.78 NPC1 (0.49) PTGDR2GPR119CA1CA2CA9
SCHEMBL30219247 0.78 CA1 (0.41) PTGDR2CA1CA2CA9
SCHEMBL4409939 0.73 ALDH1A1 (0.56)
SCHEMBL19738042 0.70 CA2 (0.47) PTGDR2GPR119CA1CA2CA9
SCHEMBL1909424 0.69 PTGDR2 (0.44) PTGDR2GPR119CA1CA2CA9
SCHEMBL16880254 0.68 PTGDR2 (0.46) PTGDR2CA1CA2CA9KLKB1
SCHEMBL8110167 0.68 RYR2 (0.40) CTNNB1WNT3A

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-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed