SCHEMBL4281216

SCHEMBL4281216

O=C(O)COc1cccc(CNCCCc2cc(C(c3ccccc3)c3ccccc3)c[nH]c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.49
BCHE P06276 3/20 0.46
PTGIR P43119 1/20 0.42
FFAR1 O14842 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
DPYD Q12882 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4268589 0.89 PTGDR2 (0.58) PTGDR2PTGIRPPARAPPARGDPYD
SCHEMBL4268671 0.84 PTGDR2 (0.46) PTGDR2PTGIRFFAR1KDM4EDPYD
SCHEMBL4276635 0.80 SNCA (0.45) PTGDR2MAPK1LMNA
SCHEMBL4274009 0.79 PTGDR2 (0.55) PTGDR2PTGIRFFAR1
SCHEMBL4270241 0.78 PTGDR2 (0.46) PTGDR2PTGIRFFAR1DPYD
SCHEMBL4270407 0.78 PTGDR2 (0.41) PTGDR2PTGIRFFAR1PPARGMAPK1
SCHEMBL4276626 0.76 L3MBTL1 (0.42) PTGDR2PTGIRKDM4E
SCHEMBL12953951 0.74 KDM4E (0.59) BCHEFFAR1PPARAPPARGKDM4E
SCHEMBL4267953 0.74 PTGDR2 (0.59) PTGDR2PPARAPPARG
SCHEMBL4271773 0.74 PTGDR2 (0.59) PTGDR2PPARAPPARG

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