SCHEMBL4268671

SCHEMBL4268671

O=C(O)COc1cccc(CNC(=O)Cc2cc(C(c3ccccc3)c3ccccc3)c[nH]c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.46
HPGD P15428 2/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DPYD Q12882 1/20 0.40
PTGIR P43119 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4281216 0.84 PTGDR2 (0.49) PTGDR2FFAR1LMNADPYDPTGIR
SCHEMBL4268589 0.83 PTGDR2 (0.58) PTGDR2LMNADPYDPTGIR
SCHEMBL4270241 0.80 PTGDR2 (0.46) PTGDR2FFAR1DPYDPTGIR
SCHEMBL4276635 0.78 SNCA (0.45) PTGDR2KMT2ANPC1LMNA
SCHEMBL8358555 0.76 KMT2A (0.64) HPGDKMT2AFFAR1NPC1LMNA
SCHEMBL3175595 0.75 PTGDR2 (0.68) PTGDR2HPGDKMT2AFFAR1NPC1
SCHEMBL4274009 0.74 PTGDR2 (0.55) PTGDR2FFAR1PTGIR
SCHEMBL4270407 0.73 PTGDR2 (0.41) PTGDR2FFAR1NPC1PTGIR
SCHEMBL8356709 0.72 TACR1 (0.55) PTGDR2HPGDKMT2AFFAR1LMNA
SCHEMBL8804316 0.71 CNR1 (0.65) PTGDR2KMT2AFFAR1PTGIR

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