SCHEMBL4418272

SCHEMBL4418272

CC(=O)On1cc(CCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.51
▸ MCL1 Q07820 4/20 0.37
▸ ADRA1D P25100 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CDC25A P30304 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL4419630 0.90 PTGDR2 (0.51) PTGDR2MCL1ADRA1DADRA1ATP53
SCHEMBL3169190 0.83 PTGDR2 (0.51) PTGDR2MCL1ADRA1DKDM4EHPGD
SCHEMBL3179431 0.82 PTGDR2 (0.52) PTGDR2MCL1ADRA1DADRA1ACDC25A
SCHEMBL12678721 0.80 PTGDR2 (0.49) PTGDR2MCL1MAPT
SCHEMBL3169645 0.80 PTGDR2 (0.55) PTGDR2MCL1KDM4EHPGDHSD17B10
SCHEMBL4416672 0.79 PTGDR2 (0.47) PTGDR2MCL1
SCHEMBL4415546 0.79 PTGDR2 (0.42) PTGDR2TP53MAPT
SCHEMBL4413606 0.77 PTGDR2 (0.43) PTGDR2
SCHEMBL17943478 0.77 PTGDR2 (0.46) PTGDR2MCL1ADRA1DHPGDADRA1A
SCHEMBL4414924 0.76 PTGDR2 (0.52) PTGDR2MCL1MAPT

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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