SCHEMBL3962099

SCHEMBL3962099

CCOC(=O)Cc1c(C)c(Cc2cc(S(=O)(=O)c3ccccc3)ccc2F)n2cc(C#N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.40
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTR6 P50406 2/20 0.34
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
GPR27 Q9NS67 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
MAPT P10636 1/20 0.31
MAPK8 P45983 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL3967115 0.91 PTGDR2 (0.48) PTGDR2HTR6GPR27
SCHEMBL3965620 0.86 PTGDR2 (0.54) PTGDR2HTR6
SCHEMBL3968252 0.86 PTGDR2 (0.38) PTGDR2GAANPSR1MAPTPTGS1
SCHEMBL3969463 0.85 PTGDR2 (0.47) PTGDR2MAPTPTGS2
SCHEMBL3962084 0.83 PTGDR2 (0.39) PTGDR2GAANPSR1HTR6PTGS1
SCHEMBL3962109 0.83 PTGDR2 (0.39) PTGDR2GAANPSR1MAPTPTGS2
SCHEMBL3968018 0.81 PTGDR2 (0.39) PTGDR2GAANPSR1MAPTPTGS2
SCHEMBL3968970 0.81 PTGDR2 (0.46) PTGDR2GAANPSR1MAPTPTGS2
SCHEMBL3972653 0.80 PTGDR2 (0.42) PTGDR2GAAMAPTPTGS2
SCHEMBL3968672 0.78 PTGDR2 (0.40) PTGDR2AKR1C3AKR1C2MAPTPTGS2

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-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed