SCHEMBL4281837

SCHEMBL4281837

CC(=O)Nc1cccc(C(=O)N(CCCc2cccc(OOC(C)=O)c2)CCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.59
▸ CASR P41180 14/20 0.52
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL4273831 0.91 PTGDR2 (0.61) PTGDR2CASRRAB9AMEN1KMT2A
SCHEMBL4272589 0.90 PTGDR2 (0.71) PTGDR2CASRRAB9AMEN1KMT2A
SCHEMBL3165103 0.88 PTGDR2 (0.78) PTGDR2CASRRAB9AMEN1KMT2A
SCHEMBL4283351 0.84 PTGDR2 (0.59) PTGDR2CASRKMT2A
SCHEMBL4275484 0.84 PTGDR2 (0.63) PTGDR2CASRRAB9AMEN1KMT2A
SCHEMBL4266987 0.84 PTGDR2 (0.63) PTGDR2CASR
SCHEMBL4275413 0.83 PTGDR2 (0.60) PTGDR2CASR
SCHEMBL4271817 0.83 PTGDR2 (0.59) PTGDR2CASRRAB9AMEN1KMT2A
SCHEMBL4272587 0.80 PTGDR2 (0.74) PTGDR2CASRRAB9AMEN1KMT2A
SCHEMBL4275915 0.80 PTGDR2 (0.58) PTGDR2CASR

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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