SCHEMBL7467140

SCHEMBL7467140

O=C(O)c1cccc(COc2ccc3[nH]c(C(=O)O)c(Cc4cc5c(cc4Cl)OCO5)c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.49
CFD P00746 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
EDNRA P25101 5/20 0.43
EDNRB P24530 4/20 0.43
NR4A2 P43354 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL7466748 0.92 KDM4E (0.49) EDNRAEDNRBMAOAMAOB
SCHEMBL7465999 0.91 NR4A2 (0.42) EDNRAEDNRBNR4A2NPC1RAB9A
SCHEMBL7466286 0.90 MAOA (0.49) MRGPRX4EDNRAEDNRBPOLBMAOA
SCHEMBL7137422 0.89 MCL1 (0.42) NPC1
SCHEMBL7462088 0.89 MAOB (0.50) MRGPRX4NR4A2L3MBTL1MAOAMAOB
SCHEMBL7465568 0.86 EDNRB (0.47) EDNRAEDNRBNPC1POLB
SCHEMBL7470931 0.85 MAOA (0.49) MAOAMAOB
SCHEMBL7458027 0.84 S1PR1 (0.46) MAOAMAOB
SCHEMBL7468641 0.82 MCL1 (0.40) NPC1
SCHEMBL7471263 0.82 GABRA1 (0.51) MAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP claimed
EP-1021181-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-26 EP claimed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed
EP-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP disclosed
EP-1021181-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-26 EP disclosed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed