SCHEMBL9533148

SCHEMBL9533148

O=C1NC(=O)/C(=C/c2ccc(OCCN(CC(O)c3ccccc3)C(=O)OCc3ccccc3)cc2)S1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.57
PTPN1 P18031 2/20 0.57
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
POLB P06746 1/20 0.57
MMP3 P08254 1/20 0.48
MMP13 P45452 1/20 0.48
GPR35 Q9HC97 1/20 0.48
PPARG P37231 2/20 0.47
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46

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
SCHEMBL9533108 1.00 HPGD (0.57) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9533152 0.91 HPGD (0.44) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9533567 0.83 MEN1 (0.46)
SCHEMBL9536301 0.83 HPGD (0.64) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9536304 0.83 HPGD (0.64) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9533458 0.80 FFAR1 (0.56) PPARG
SCHEMBL9534433 0.79 MEN1 (0.47) PPARG
SCHEMBL9533468 0.79 MEN1 (0.41) PPARG
SCHEMBL938826 0.76 HPGD (0.64) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL938825 0.76 HPGD (0.64) HPGDPTPN1MAOAMAOBPOLB

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
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