SCHEMBL6531329

SCHEMBL6531329

Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 1.00
PTGDR Q13258 5/20 1.00
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53

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
SCHEMBL1222480 0.91 PTGDR2 (1.00) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6527998 0.90 PTGDR2 (0.82) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6527650 0.90 PTGDR2 (0.86) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6531234 0.90 PTGDR2 (1.00) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6529582 0.90 PTGDR2 (0.80) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6530349 0.88 PTGDR2 (1.00) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6529302 0.87 PTGDR2 (0.84) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6532413 0.87 PTGDR2 (0.81) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6529948 0.86 PTGDR2 (0.78) PTGDR2PTGDRAKR1C3AKR1C2
SCHEMBL6532747 0.85 PTGDR2 (0.73) PTGDR2PTGDRAKR1C3AKR1C2

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
WO-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 WO disclosed