SCHEMBL4415546

SCHEMBL4415546

CC(=O)On1ccc2c(Cn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.42
▸ MAPT P10636 4/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ LMNA P02545 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
SCHEMBL4419630 0.89 PTGDR2 (0.51) PTGDR2MAPTTP53ALDH1A1LMNA
SCHEMBL4414924 0.83 PTGDR2 (0.52) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL3169747 0.82 PTGDR2 (0.43) PTGDR2MAPTTP53ALDH1A1MEN1
SCHEMBL4416672 0.82 PTGDR2 (0.47) PTGDR2ALDH1A1KMT2A
SCHEMBL4413606 0.82 PTGDR2 (0.43) PTGDR2
SCHEMBL4419771 0.81 PTGDR2 (0.36) PTGDR2MAPT
SCHEMBL3166129 0.81 PTGDR2 (0.44) PTGDR2TP53ALDH1A1KMT2A
SCHEMBL12678735 0.80 POLB (0.44) PTGDR2MAPTALDH1A1MEN1CYP1A2
SCHEMBL4418272 0.79 PTGDR2 (0.51) PTGDR2MAPTTP53
SCHEMBL3176967 0.71 PTGDR2 (0.51) PTGDR2MAPTTP53

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
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 — — CN disclosed
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 — — CN disclosed
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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