SCHEMBL7698706

SCHEMBL7698706

Cc1ccc(OCC(O)COc2ccc(C=C3SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.70
PIM1 P11309 4/20 0.65
PIM2 Q9P1W9 4/20 0.65
GPR35 Q9HC97 1/20 0.60
PTGS2 P35354 2/20 0.57
AKR1B1 P15121 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
CISD1 Q9NZ45 1/20 0.56
PTPN1 P18031 1/20 0.55
POLB P06746 1/20 0.55
PARP1 P09874 1/20 0.55
PPARG P37231 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL7698700 1.00 HPGD (0.70) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7698704 1.00 HPGD (0.70) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7698701 1.00 HPGD (0.70) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7693214 0.90 PIM1 (0.72) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7693216 0.90 PIM1 (0.72) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7693218 0.90 PIM1 (0.72) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7694242 0.89 HPGD (0.67) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7694250 0.89 HPGD (0.67) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7694244 0.89 HPGD (0.67) HPGDPIM1PIM2GPR35PTGS2
SCHEMBL7694253 0.89 HPGD (0.67) HPGDPIM1PIM2GPR35PTGS2

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

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