SCHEMBL7696597

SCHEMBL7696597

O=C1NC(=O)C(=Cc2ccc(OCCOc3ccc(C(=O)O)cc3Cl)cc2)S1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.68
HPGD P15428 15/20 0.61
GPR35 Q9HC97 1/20 0.57
PIM1 P11309 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
PTGS2 P35354 1/20 0.55

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
SCHEMBL7696596 1.00 CISD1 (0.68) CISD1HPGDGPR35PIM1PIM2
SCHEMBL7700243 0.92 MYC (0.60) CISD1HPGDPTGS2
SCHEMBL7700244 0.92 MYC (0.60) CISD1HPGDPTGS2
SCHEMBL212734 0.87 GPR35 (0.70) CISD1HPGDGPR35PIM1PIM2
SCHEMBL212733 0.87 GPR35 (0.70) CISD1HPGDGPR35PIM1PIM2
SCHEMBL212735 0.87 GPR35 (0.70) CISD1HPGDGPR35PIM1PIM2
SCHEMBL22971879 0.81 CISD1 (1.00) CISD1HPGDPIM1PIM2PTGS2
SCHEMBL12892082 0.81 HPGD (0.73) HPGD
SCHEMBL1250092 0.81 HPGD (0.73) HPGD
SCHEMBL1250091 0.81 HPGD (0.73) HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002050024-A2 THIAZOLIDINEDIONES SMITHKLINE BEECHAM CORPORATION (US) 2002-06-27 WO claimed