SCHEMBL7466748

SCHEMBL7466748

O=C(O)c1[nH]c2ccc(OCc3ccccc3)cc2c1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAOB P27338 2/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOA P21397 1/20 0.44
EDNRB P24530 3/20 0.44
EDNRA P25101 3/20 0.44
MCL1 Q07820 2/20 0.44
ADRA1A P35348 1/20 0.43
BCL2 P10415 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL7465999 0.93 NR4A2 (0.42) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL7467140 0.92 MRGPRX4 (0.49) MAOBMAOAEDNRBEDNRA
SCHEMBL7465568 0.92 EDNRB (0.47) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL7470931 0.91 MAOA (0.49) MAOBMAOAMCL1BCL2
SCHEMBL7137422 0.91 MCL1 (0.42) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL7466286 0.91 MAOA (0.49) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL7458027 0.90 S1PR1 (0.46) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL7471263 0.90 GABRA1 (0.51) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL7462088 0.89 MAOB (0.50) MAPTHTTMAOBMAOAMCL1
SCHEMBL7468641 0.88 MCL1 (0.40) KDM4EMAPTHPGDHSD17B10HTT

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-1242075-A4 INDOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-12-04 EP disclosed
EP-1242075-A2 INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
EP-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP disclosed
WO-2001030752-A2 INDOLE COMPOUNDS FOR TREATING BACTERIAL INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-03 WO 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