SCHEMBL7694253

SCHEMBL7694253

O=C1NC(=O)C(=Cc2ccc(OCC(O)COc3ccccc3)cc2)S1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.67
PTPN1 P18031 2/20 0.67
MAOA P21397 2/20 0.67
MAOB P27338 2/20 0.67
AKR1B1 P15121 1/20 0.67
POLB P06746 1/20 0.67
GPR35 Q9HC97 1/20 0.64
PIM1 P11309 3/20 0.61
PIM2 Q9P1W9 3/20 0.61
PIM3 Q86V86 1/20 0.60
MGAM O43451 1/20 0.58
GAA P10253 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
PTGS2 P35354 1/20 0.57

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
SCHEMBL7694244 1.00 HPGD (0.67) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7694242 1.00 HPGD (0.67) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7694250 1.00 HPGD (0.67) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7698701 0.89 HPGD (0.70) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7696992 0.89 PIM1 (0.65) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7698706 0.89 HPGD (0.70) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7693214 0.89 PIM1 (0.72) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7693216 0.89 PIM1 (0.72) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7698704 0.89 HPGD (0.70) HPGDPTPN1MAOAMAOBAKR1B1
SCHEMBL7698700 0.89 HPGD (0.70) HPGDPTPN1MAOAMAOBAKR1B1

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