SCHEMBL7466880

SCHEMBL7466880

COc1ccccc1COc1ccc2[nH]c(C(=O)O)c(Cc3cc4c(cc3Cl)OCO4)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
EDNRB P24530 1/20 0.42
MAPT P10636 2/20 0.42
MCL1 Q07820 2/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
BCL2 P10415 1/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.40
MDM2 Q00987 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7468641 0.92 MCL1 (0.40) LMNAMAPTMCL1KDM4EHPGD
SCHEMBL7466748 0.88 KDM4E (0.49) LMNAEDNRBMAPTMCL1KDM4E
SCHEMBL7465568 0.87 EDNRB (0.47) POLBLMNAEDNRBMAPTMCL1
SCHEMBL7137422 0.86 MCL1 (0.42) LMNAMAPTMCL1KDM4EHPGD
SCHEMBL7466286 0.86 MAOA (0.49) POLBLMNAEDNRBMAPTKDM4E
SCHEMBL7462856 0.86 AR (0.47) LMNAMCL1KDM4EHPGDALDH1A1
SCHEMBL7470931 0.83 MAOA (0.49) MCL1BCL2
SCHEMBL7465999 0.83 NR4A2 (0.42) LMNAEDNRBMAPTMCL1KDM4E
SCHEMBL7467140 0.82 MRGPRX4 (0.49) POLBEDNRBNPC1
SCHEMBL8541345 0.81 EDNRB (0.38) POLBEDNRBMAPTKDM4E

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