SCHEMBL4273938

SCHEMBL4273938

CC(=O)Oc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.61
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ACHE P22303 6/20 0.43
▸ CASR P41180 1/20 0.43
▸ FDFT1 P37268 2/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ PLIN1 O60240 1/20 0.41
▸ GSTO1 P78417 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
SCHEMBL4272587 0.91 PTGDR2 (0.74) PTGDR2MAPTALDH1A1SMN1; SMN2ACHE
SCHEMBL4281806 0.88 PTGDR2 (0.54) PTGDR2MAPTALDH1A1SMN1; SMN2ACHE
SCHEMBL3169768 0.88 PTGDR2 (0.79) PTGDR2MAPTALDH1A1LMNABCHE
SCHEMBL4276589 0.88 PTGDR2 (0.53) PTGDR2MAPTALDH1A1SMN1; SMN2ACHE
SCHEMBL4272486 0.88 PTGDR2 (0.66) PTGDR2MAPTALDH1A1SMN1; SMN2CASR
SCHEMBL4272063 0.87 PTGDR2 (0.78) PTGDR2MAPTALDH1A1SMN1; SMN2CASR
SCHEMBL4266983 0.87 PTGDR2 (0.65) PTGDR2MAPTALDH1A1SMN1; SMN2CASR
SCHEMBL4274292 0.87 PTGDR2 (0.65) PTGDR2MAPTALDH1A1SMN1; SMN2CASR
SCHEMBL4271815 0.86 PTGDR2 (0.61) PTGDR2MAPTALDH1A1SMN1; SMN2ACHE
SCHEMBL4276645 0.86 PTGDR2 (0.56) PTGDR2MAPTALDH1A1SMN1; SMN2ACHE

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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