SCHEMBL4413606

SCHEMBL4413606

CC(=O)On1ccc2c(NCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.43
▸ NR3C2 P08235 5/20 0.38
▸ EPHX2 P34913 1/20 0.34
▸ GRM2 Q14416 4/20 0.33
▸ PGR P06401 1/20 0.31
▸ P2RX7 Q99572 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
SCHEMBL3159520 0.83 PTGDR2 (0.46) PTGDR2NR3C2GRM2
SCHEMBL4414924 0.83 PTGDR2 (0.52) PTGDR2
SCHEMBL4419630 0.83 PTGDR2 (0.51) PTGDR2
SCHEMBL4415546 0.82 PTGDR2 (0.42) PTGDR2
SCHEMBL4416672 0.82 PTGDR2 (0.47) PTGDR2
SCHEMBL12678726 0.81 LMNA (0.41) PTGDR2EPHX2
SCHEMBL4418272 0.77 PTGDR2 (0.51) PTGDR2
SCHEMBL4419771 0.76 PTGDR2 (0.36) PTGDR2
SCHEMBL3164878 0.70 PTGDR2 (0.53) PTGDR2EPHX2
SCHEMBL3165167 0.69 PTGDR2 (0.44) PTGDR2EPHX2

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — WO disclosed
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