SCHEMBL7470931

SCHEMBL7470931

O=C(O)c1[nH]c2ccc(OCCc3ccccc3)cc2c1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
MCL1 Q07820 15/20 0.49
BCL2 P10415 3/20 0.48

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 0.91 KDM4E (0.49) MAOAMAOBMCL1BCL2
SCHEMBL7137422 0.85 MCL1 (0.42) MCL1BCL2
SCHEMBL7467140 0.85 MRGPRX4 (0.49) MAOAMAOB
SCHEMBL7465999 0.84 NR4A2 (0.42) MAOBMCL1
SCHEMBL7466286 0.84 MAOA (0.49) MAOAMAOB
SCHEMBL7465568 0.83 EDNRB (0.47) MCL1
SCHEMBL7466880 0.83 POLB (0.43) MCL1BCL2
SCHEMBL7468641 0.83 MCL1 (0.40) MCL1BCL2
SCHEMBL7462088 0.82 MAOB (0.50) MAOAMAOBMCL1
SCHEMBL7462856 0.82 AR (0.47) MAOAMAOBMCL1BCL2

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