Demeton S

Demeton S

SCHEMBL2917009

CCOP(=O)(OCC)SCCSCC.Cc1c(C(C)c2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.51
AKR1B1 P15121 5/20 0.51
CYP2C9 P11712 2/20 0.40
PTGDR Q13258 1/20 0.38

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
SCHEMBL1787716 0.84 PTGDR2 (0.64) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL2088388 0.79 PTGDR2 (0.52) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL5749192 0.79 PTGDR2 (0.60) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL1788163 0.73 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL1785965 0.73 PTGDR2 (0.56) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL1785003 0.73 PTGDR2 (0.56) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL5739375 0.72 PTGDR2 (0.55) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL1467977 0.72 PTGDR2 (0.62) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL1786162 0.71 PTGDR2 (0.62) PTGDR2CYP2C9PTGDR
SCHEMBL3006606 0.68 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9

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-2219645-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS Oxagen Limited (GB) 2010-08-25 EP claimed
WO-2009063202-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS OXAGEN LIMITED (GB) 2009-05-22 WO claimed