SCHEMBL7468641

SCHEMBL7468641

O=C(O)c1[nH]c2ccc(OCc3ccccc3Oc3ccccc3)cc2c1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.40
BCL2 P10415 1/20 0.40
HTT P42858 2/20 0.39
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR17 Q13304 1/20 0.37
MEN1 O00255 1/20 0.37
SLC26A4 O43511 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL7466880 0.92 POLB (0.43) MCL1BCL2HTTKDM4EHPGD
SCHEMBL7466748 0.88 KDM4E (0.49) MCL1BCL2HTTKDM4EHPGD
SCHEMBL7137422 0.86 MCL1 (0.42) MCL1BCL2HTTKDM4EHPGD
SCHEMBL7462856 0.86 AR (0.47) MCL1BCL2HTTKDM4EHPGD
SCHEMBL7470931 0.83 MAOA (0.49) MCL1BCL2
SCHEMBL7465999 0.83 NR4A2 (0.42) MCL1HTTKDM4EHPGDNPC1
SCHEMBL7466286 0.83 MAOA (0.49) HTTKDM4EHPGDALDH1A1LMNA
SCHEMBL7467140 0.82 MRGPRX4 (0.49) NPC1
SCHEMBL7465568 0.82 EDNRB (0.47) MCL1HTTKDM4EHPGDNPC1
SCHEMBL7467322 0.80 EDNRB (0.43) MCL1

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