SCHEMBL4276589

SCHEMBL4276589

CC(=O)Oc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)C2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CCR5 P51681 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASR P41180 2/20 0.39
▸ LPAR1 Q92633 1/20 0.39
▸ LPAR5 Q9H1C0 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ CHRM5 P08912 1/20 0.37
▸ FDFT1 P37268 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 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
SCHEMBL4273938 0.88 PTGDR2 (0.61) PTGDR2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3174387 0.86 PTGDR2 (0.72) PTGDR2KDM4EMEN1KMT2ALMNA
SCHEMBL3168965 0.86 PTGDR2 (0.51) PTGDR2KDM4EMEN1KMT2ALMNA
SCHEMBL4272587 0.84 PTGDR2 (0.74) PTGDR2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL12678766 0.83 PTGDR2 (0.58) PTGDR2KDM4ECCR5MEN1KMT2A
SCHEMBL4281806 0.81 PTGDR2 (0.54) PTGDR2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4272486 0.80 PTGDR2 (0.66) PTGDR2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4272063 0.80 PTGDR2 (0.78) PTGDR2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4266983 0.80 PTGDR2 (0.65) PTGDR2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4274292 0.80 PTGDR2 (0.65) PTGDR2MAPTSMN1; SMN2ALDH1A1MEN1

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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