SCHEMBL5739375

SCHEMBL5739375

Cc1c(C(C)c2ccc([S+](C)[O-])cc2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.55
PTGDR Q13258 2/20 0.46
CYP2C9 P11712 1/20 0.46
AKR1B1 P15121 1/20 0.45
PTGIR P43119 1/20 0.42

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
SCHEMBL1788163 0.85 PTGDR2 (0.66) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL1787716 0.85 PTGDR2 (0.64) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL1785003 0.83 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL1785965 0.83 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL1786162 0.80 PTGDR2 (0.62) PTGDR2PTGDRCYP2C9PTGIR
SCHEMBL5749192 0.79 PTGDR2 (0.60) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL21032885 0.74 PTGDR2 (0.49) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL2088388 0.73 PTGDR2 (0.52) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL27645796 0.73 PTGDR2 (0.53) PTGDR2PTGDRCYP2C9AKR1B1PTGIR
SCHEMBL19361446 0.72 PTGDR2 (0.63) PTGDR2PTGDRCYP2C9AKR1B1PTGIR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682121-A1 USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY Oxagen Limited (GB) 2006-07-26 EP claimed
WO-2005044260-A1 USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY OXAGEN LIMITED (GB) 2005-05-19 WO claimed