SCHEMBL7466286

SCHEMBL7466286

COc1cccc(COc2ccc3[nH]c(C(=O)O)c(Cc4cc5c(cc4Cl)OCO5)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.43
MDM2 Q00987 1/20 0.43
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
CNR1 P21554 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
SCHEMBL7465568 0.92 EDNRB (0.47) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL7466748 0.91 KDM4E (0.49) MAOAMAOBKDM4EHPGDHSD17B10
SCHEMBL7467140 0.90 MRGPRX4 (0.49) MAOAMAOBPOLBEDNRBEDNRA
SCHEMBL7137422 0.87 MCL1 (0.42) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL7462088 0.87 MAOB (0.50) MAOAMAOBMAPTHTTMRGPRX4
SCHEMBL7466880 0.86 POLB (0.43) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL7465999 0.85 NR4A2 (0.42) MAOBKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL7470931 0.84 MAOA (0.49) MAOAMAOB
SCHEMBL7471263 0.83 GABRA1 (0.51) MAOBKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL7468641 0.83 MCL1 (0.40) KDM4EHPGDHSD17B10ALDH1A1MAPT

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