SCHEMBL4283351

SCHEMBL4283351

CC(=O)OOc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.59
▸ CASR P41180 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LPAR1 Q92633 3/20 0.39
▸ AKR1C3 P42330 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ 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
SCHEMBL4283355 0.91 PTGDR2 (0.61) PTGDR2CASRALDH1A1GAAHSD17B10
SCHEMBL4272589 0.90 PTGDR2 (0.71) PTGDR2CASRALDH1A1GAALPAR1
SCHEMBL3159495 0.87 PTGDR2 (0.79) PTGDR2CASRLPAR1
SCHEMBL4281837 0.84 PTGDR2 (0.59) PTGDR2CASRKMT2A
SCHEMBL4266987 0.84 PTGDR2 (0.63) PTGDR2CASRALDH1A1LPAR1MAPT
SCHEMBL4275484 0.84 PTGDR2 (0.63) PTGDR2CASRALDH1A1LPAR1KMT2A
SCHEMBL4275413 0.83 PTGDR2 (0.60) PTGDR2CASRGAALPAR1
SCHEMBL4271817 0.83 PTGDR2 (0.59) PTGDR2CASRALDH1A1LPAR1KMT2A
SCHEMBL4272587 0.80 PTGDR2 (0.74) PTGDR2CASRALDH1A1GAALPAR1
SCHEMBL4275915 0.79 PTGDR2 (0.58) PTGDR2CASRALDH1A1LPAR1

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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