SCHEMBL3968252

SCHEMBL3968252

CCOC(=O)Cc1c(C)c(Cc2cccc(S(=O)(=O)c3ccc(F)cc3)c2)n2cc(C#N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.38
GNRHR P30968 1/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
PTGS2 P35354 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PTGS1 P23219 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
MAPT P10636 1/20 0.32
USP14 P54578 1/20 0.32
SLC34A1 Q06495 1/20 0.32

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
SCHEMBL3962109 0.92 PTGDR2 (0.39) PTGDR2GNRHRKMT2AGAAMEN1
SCHEMBL3967113 0.90 PTGDR2 (0.45) PTGDR2
SCHEMBL3972653 0.88 PTGDR2 (0.42) PTGDR2GNRHRKMT2AGAAMEN1
SCHEMBL3962099 0.86 PTGDR2 (0.40) PTGDR2GAAPTGS2NPSR1PTGS1
SCHEMBL3962084 0.85 PTGDR2 (0.39) PTGDR2KMT2AGAAMEN1ALDH1A1
SCHEMBL3969463 0.85 PTGDR2 (0.47) PTGDR2KMT2AMEN1PTGS2MAPT
SCHEMBL3968018 0.82 PTGDR2 (0.39) PTGDR2KMT2AGAAMEN1ALDH1A1
SCHEMBL3968970 0.82 PTGDR2 (0.46) PTGDR2KMT2AGAAMEN1ALDH1A1
SCHEMBL3967751 0.82 PTGDR2 (0.39) PTGDR2KMT2AGAAMEN1ALDH1A1
SCHEMBL3964681 0.81 PTGDR2 (0.46) PTGDR2

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