SCHEMBL5749192

SCHEMBL5749192

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.60
AKR1B1 P15121 4/20 0.55
AKR1B10 O60218 1/20 0.47
CYP2C9 P11712 1/20 0.44
PTGDR Q13258 1/20 0.44

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
SCHEMBL1785003 0.95 PTGDR2 (0.56) PTGDR2AKR1B1AKR1B10CYP2C9PTGDR
SCHEMBL1787716 0.93 PTGDR2 (0.64) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL1785965 0.87 PTGDR2 (0.56) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL5749195 0.83 PTGDR2 (0.43) PTGDR2AKR1B1AKR1B10CYP2C9PTGDR
SCHEMBL2088388 0.81 PTGDR2 (0.52) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL1788163 0.81 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL5739375 0.79 PTGDR2 (0.55) PTGDR2AKR1B1CYP2C9PTGDR
Demeton S SCHEMBL2917009 0.79 PTGDR2 (0.51) PTGDR2AKR1B1CYP2C9PTGDR
SCHEMBL1786162 0.78 PTGDR2 (0.62) PTGDR2CYP2C9PTGDR
SCHEMBL1467977 0.77 PTGDR2 (0.62) PTGDR2AKR1B1CYP2C9PTGDR

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 4 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
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO disclosed