SCHEMBL9242566

SCHEMBL9242566

O=C1NC(=O)C(Cc2ccc(OCC3CN(c4ccccn4)C(=O)O3)cc2)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.52
GRM2 Q14416 5/20 0.48
FFAR1 O14842 5/20 0.47
RARG P13631 1/20 0.47
RXRA P19793 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR1 P03372 1/20 0.44

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
SCHEMBL8942123 0.91 GRM2 (0.46) PPARGGRM2FFAR1RARGRXRA
SCHEMBL2787185 0.85 GRM2 (0.52) PPARGGRM2FFAR1RXRAHRH3
SCHEMBL8506614 0.84 PPARG (0.50) PPARGFFAR1RARGRXRAHRH3
SCHEMBL8508989 0.84 PPARG (0.50) PPARGFFAR1RARGRXRAHRH3
SCHEMBL8508505 0.84 PPARG (0.50) PPARGFFAR1RARGRXRAHRH3
SCHEMBL8941936 0.82 MAPT (0.56) PPARGGRM2FFAR1HRH3PPARA
SCHEMBL8942114 0.82 GRM2 (0.53) PPARGGRM2FFAR1HRH3PPARA
SCHEMBL8509323 0.82 PPARG (0.56) PPARGFFAR1RARGRXRAHRH3
SCHEMBL8508824 0.82 PPARG (0.56) PPARGFFAR1RARGRXRAHRH3
SCHEMBL8508796 0.82 PPARG (0.56) PPARGFFAR1RARGRXRAHRH3

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
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed