SCHEMBL9533083

SCHEMBL9533083

O=C1NC(=O)C(Cc2ccc(OCCn3c(=O)oc4ccccc43)cc2)S1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.63
PPARG P37231 6/20 0.63
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PPARA Q07869 5/20 0.52
TP53 P04637 1/20 0.50

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
SCHEMBL1072226 0.77 FFAR1 (0.77) FFAR1PPARGTSHRHRH3ALDH1A1
SCHEMBL29547028 0.77 FFAR1 (1.00) FFAR1PPARGHRH3PPARA
SCHEMBL291967 0.77 FFAR1 (1.00) FFAR1PPARGHRH3PPARA
SCHEMBL9143087 0.76 FFAR1 (0.64) FFAR1PPARGRAB9AHRH3HPGD
SCHEMBL9570670 0.76 FFAR1 (0.71) FFAR1PPARGTSHRHRH3ALDH1A1
SCHEMBL6477400 0.75 TSHR (0.62) PPARGTSHRRAB9ASMN1; SMN2L3MBTL1
SCHEMBL6476905 0.75 TSHR (0.62) FFAR1TSHRRAB9ASMN1; SMN2L3MBTL1
SCHEMBL8129853 0.75 PPARG (0.62) FFAR1PPARGHRH3PPARA
SCHEMBL9570560 0.75 FFAR1 (0.69) FFAR1PPARGTSHRHRH3ALDH1A1
SCHEMBL8957444 0.75 FFAR1 (0.69) FFAR1PPARGTSHRHRH3ALDH1A1

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