SCHEMBL4273827

SCHEMBL4273827

CC(=O)Nc1cccc(C(=O)C(CC(c2ccccc2)c2ccccc2)NCCCc2cccc(OCC(=O)O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.51
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTGIR P43119 2/20 0.44
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HCRTR1 O43613 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4275416 0.89 PTGDR2 (0.60) PTGDR2MAPK1PPARAPPARGPTGIR
SCHEMBL4281834 0.88 RAB9A (0.42) PTGDR2MEN1KMT2ARAB9ANPC1
SCHEMBL4274289 0.83 PTGDR2 (0.53) PTGDR2MAPK1PPARAPPARGPTGIR
SCHEMBL4274216 0.82 PTGDR2 (0.52) PTGDR2KMT2APPARAPPARGSMN1; SMN2
SCHEMBL3165103 0.80 PTGDR2 (0.78) PTGDR2MAPK1MEN1KMT2ARAB9A
SCHEMBL4272582 0.78 PTGDR2 (0.42) PTGDR2MEN1KMT2A
SCHEMBL4276584 0.76 PTGDR2 (0.53) PTGDR2PPARAPPARGPTGIR
SCHEMBL3174468 0.71 PTGDR2 (0.64) PTGDR2PPARAPPARGPTGIR
SCHEMBL3951459 0.71 NPC1 (0.76) MAPK1MEN1KMT2ARAB9ANPC1
SCHEMBL4271051 0.71 L3MBTL1 (0.41) PTGDR2SMN1; SMN2PTGIR

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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