SCHEMBL7467322

SCHEMBL7467322

O=C(O)c1[nH]c2ccc(OCC3CCCCC3)cc2c1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.43
EDNRA P25101 5/20 0.43
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
MCL1 Q07820 2/20 0.38

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 0.83 KDM4E (0.49) EDNRBEDNRAMCL1
SCHEMBL7137422 0.83 MCL1 (0.42) MCL1
SCHEMBL7470931 0.81 MAOA (0.49) MCL1
SCHEMBL7465999 0.81 NR4A2 (0.42) EDNRBEDNRAMCL1
SCHEMBL7465568 0.81 EDNRB (0.47) EDNRBEDNRAMCL1
SCHEMBL7468641 0.80 MCL1 (0.40) MCL1
SCHEMBL7467140 0.79 MRGPRX4 (0.49) EDNRBEDNRA
SCHEMBL7489145 0.79 MEN1 (0.44)
SCHEMBL7458027 0.79 S1PR1 (0.46) MCL1
SCHEMBL7466880 0.79 POLB (0.43) EDNRBMCL1

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