SCHEMBL9533598

SCHEMBL9533598

O=C1NC(=O)C(=Cc2ccc(OCCN(C(=O)Oc3ccccc3)c3ccccc3)cc2)S1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.58
PPARG P37231 3/20 0.56
GPR35 Q9HC97 1/20 0.56
PTPN1 P18031 2/20 0.55
POLB P06746 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
AKR1B1 P15121 1/20 0.54
PIM1 P11309 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
CISD1 Q9NZ45 1/20 0.53

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
SCHEMBL9534304 1.00 HPGD (0.58) HPGDPPARGGPR35PTPN1POLB
SCHEMBL9534313 0.89 CSNK2A2 (0.46) HPGDPPARGGPR35PTPN1POLB
SCHEMBL9327162 0.82 PPARG (0.80) HPGDPPARGPTPN1POLBMAOA
SCHEMBL9327166 0.82 PPARG (0.80) HPGDPPARGPTPN1POLBMAOA
SCHEMBL9326177 0.81 HPGD (0.80) HPGDGPR35PTPN1POLBMAOA
SCHEMBL9326976 0.81 HPGD (0.80) HPGDGPR35PTPN1POLBMAOA
SCHEMBL9536414 0.80 KMT2A (0.45) HPGD
SCHEMBL8458670 0.79 PPARG (0.61) HPGDPPARGGPR35PTPN1POLB
SCHEMBL8458668 0.79 PPARG (0.61) HPGDPPARGGPR35PTPN1POLB
SCHEMBL9536304 0.76 HPGD (0.64) HPGDPPARGGPR35PTPN1POLB

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-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP claimed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO claimed
EP-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
EP-0526543-A4 DERIVATIVES AND ANALOGUES OF 2-DEOXY-2,3-DIDEHYDRO-N-ACETYL NEURAMINIC ACID AND THEIR USE AS ANTIVIRAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 1993-04-21 EP disclosed
EP-0526543-A1 DERIVATIVES AND ANALOGUES OF 2-DEOXY-2,3-DIDEHYDRO-N-ACETYL NEURAMINIC ACID AND THEIR USE AS ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1993-02-10 EP disclosed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed