SCHEMBL9533458

SCHEMBL9533458

O=C1NC(=O)C(Cc2ccc(OCCN(CC(O)c3ccccc3)C(=O)OCc3ccccc3)cc2)S1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.56
PPARG P37231 10/20 0.51
RARG P13631 1/20 0.49
RXRA P19793 1/20 0.49
PPARA Q07869 2/20 0.48

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
SCHEMBL9533468 0.84 MEN1 (0.41) FFAR1PPARGRARGRXRA
SCHEMBL9536496 0.82 PPARG (0.61) FFAR1PPARGRARGRXRAPPARA
SCHEMBL9534433 0.82 MEN1 (0.47) FFAR1PPARGPPARA
SCHEMBL9533148 0.80 HPGD (0.57) PPARG
SCHEMBL9533108 0.80 HPGD (0.57) PPARG
SCHEMBL9533152 0.79 HPGD (0.44) PPARG
SCHEMBL9533567 0.78 MEN1 (0.46)
SCHEMBL6928625 0.78 PPARG (0.75) FFAR1PPARGPPARA
SCHEMBL936019 0.78 PPARG (0.75) FFAR1PPARGPPARA
SCHEMBL6929623 0.78 PPARG (0.75) FFAR1PPARGPPARA

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 4 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
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed