SCHEMBL27645796

SCHEMBL27645796

Cc1c(C(C(=O)O)[SH](=O)=O)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.53
AKR1B1 P15121 1/20 0.51
PTGDR Q13258 2/20 0.49
CYP2C9 P11712 1/20 0.49
PTGIR P43119 1/20 0.47

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
SCHEMBL19361446 0.78 PTGDR2 (0.63) PTGDR2AKR1B1PTGDRCYP2C9PTGIR
SCHEMBL1787716 0.76 PTGDR2 (0.64) PTGDR2AKR1B1PTGDRCYP2C9
SCHEMBL1759180 0.76 PTGDR2 (0.60) PTGDR2AKR1B1PTGDRCYP2C9PTGIR
SCHEMBL1785965 0.74 PTGDR2 (0.56) PTGDR2AKR1B1PTGDRCYP2C9
SCHEMBL1785003 0.74 PTGDR2 (0.56) PTGDR2AKR1B1PTGDRCYP2C9
SCHEMBL1788163 0.74 PTGDR2 (0.66) PTGDR2AKR1B1PTGDRCYP2C9
SCHEMBL1466409 0.74 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9PTGIR
SCHEMBL24180014 0.73 PTGDR2 (0.53) PTGDR2AKR1B1PTGDRCYP2C9PTGIR
SCHEMBL1786162 0.73 PTGDR2 (0.62) PTGDR2PTGDRCYP2C9PTGIR
SCHEMBL5435403 0.73 PTGDR2 (0.67) PTGDR2AKR1B1PTGDRCYP2C9PTGIR

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
CN-1867547-A Compounds having crth2 antagonist activity OXAGEN LTD (GB) 2006-11-22 CN disclosed