SCHEMBL3240600

SCHEMBL3240600

Cc1ccc[n+]([O-])c1NCCOc1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.52
PPARG P37231 11/20 0.49
HRH3 Q9Y5N1 1/20 0.49
PPARA Q07869 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RXRA P19793 1/20 0.47
MPC2 O95563 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 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
SCHEMBL68421 0.80 PPARG (0.56) FFAR1PPARGHRH3PPARACYP3A4
SCHEMBL3900454 0.77 FFAR1 (0.62) FFAR1PPARGHRH3PPARACYP3A4
SCHEMBL3265588 0.77 FFAR1 (0.53) FFAR1PPARGHRH3PPARACYP3A4
SCHEMBL1848812 0.77 PPARG (0.60) FFAR1PPARGHRH3PPARACYP3A4
SCHEMBL2883389 0.76 PPARG (0.56) FFAR1PPARGHRH3PPARACYP3A4
SCHEMBL3116782 0.74 PPARG (0.65) FFAR1PPARGHRH3PPARARXRA
SCHEMBL3117517 0.74 PPARG (0.62) FFAR1PPARGHRH3PPARACYP3A4
SCHEMBL9570670 0.74 FFAR1 (0.71) FFAR1PPARGHRH3PPARACYP3A4
SCHEMBL5883336 0.74 PPARG (0.52) FFAR1PPARGHRH3PPARACYP3A4
SCHEMBL1072226 0.73 FFAR1 (0.77) FFAR1PPARGHRH3PPARACYP3A4

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
WO-2010013141-A2 SUBSTANTIALLY PURE ROSIGLITAZONE HYDROGEN SULFATE ACTAVIS GROUP PTC EHF (IS) 2010-02-04 WO claimed