SCHEMBL4281806

SCHEMBL4281806

C/C=C/C(=O)N(CCCc1cccc(OC(C)=O)c1)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.54
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CASR P41180 1/20 0.39
▸ ACHE P22303 6/20 0.38
▸ FDFT1 P37268 2/20 0.38
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PLIN1 O60240 1/20 0.37
▸ GSTO1 P78417 1/20 0.37

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
SCHEMBL4281919 0.90 PTGDR2 (0.52) PTGDR2MAPTALDH1A1SMN1; SMN2CASR
SCHEMBL4273938 0.88 PTGDR2 (0.61) PTGDR2MAPTALDH1A1SMN1; SMN2CASR
SCHEMBL3174421 0.87 PTGDR2 (0.72) PTGDR2LMNAPTGIRBCHE
SCHEMBL3174429 0.87 PTGDR2 (0.72) PTGDR2LMNAPTGIRBCHE
SCHEMBL4267926 0.86 PTGDR2 (0.49) PTGDR2MAPTALDH1A1SMN1; SMN2CASR
SCHEMBL3166266 0.85 PTGDR2 (0.52) PTGDR2
SCHEMBL3166279 0.85 PTGDR2 (0.52) PTGDR2
SCHEMBL4272587 0.85 PTGDR2 (0.74) PTGDR2MAPTALDH1A1SMN1; SMN2CASR
SCHEMBL12678754 0.83 PTGDR2 (0.58) PTGDR2FDFT1HPGDPTGIRBCHE
SCHEMBL4272486 0.81 PTGDR2 (0.66) PTGDR2MAPTALDH1A1SMN1; SMN2CASR

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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