SCHEMBL8564772

SCHEMBL8564772

CC1=C(C)C(=O)C(COc2ccc(CC3SC(=O)NC3=O)cc2)=C(C)C1=O.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.62
PPARA Q07869 3/20 0.62
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PPARG P37231 9/20 0.54
HRH3 Q9Y5N1 1/20 0.51
RXRA P19793 1/20 0.51
MPC2 O95563 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2C9 P11712 2/20 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
SCHEMBL8570339 0.99 FFAR1 (0.63) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL8565412 0.89 PPARG (0.55) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL8564112 0.88 PPARG (0.60) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL8562482 0.87 PPARG (0.56) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL8563677 0.86 PPARG (0.55) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL8312136 0.82 FFAR1 (0.87) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL8564497 0.81 FFAR1 (0.48) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL8563001 0.81 MAPT (0.55) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL2608677 0.79 PPARG (0.67) FFAR1PPARACYP3A4MAPTMEN1
SCHEMBL19217579 0.79 PPARG (0.67) FFAR1PPARACYP3A4MAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549366-B1 Thiazolidine compounds containing a quinone group, their preparation and their therapeutic uses SANKYO CO (JP) 1998-04-15 EP claimed
US-5338855-A Treating diabetes or hyperlipemia SANKYO COMPANY, LIMITED (JP) 1994-08-16 US claimed
EP-0549366-A1 Thiazolidine compounds containing a quinone group, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-06-30 EP claimed
EP-0549366-B1 Thiazolidine compounds containing a quinone group, their preparation and their therapeutic uses SANKYO CO (JP) 1998-04-15 EP disclosed
US-5338855-A Treating diabetes or hyperlipemia SANKYO COMPANY, LIMITED (JP) 1994-08-16 US disclosed
EP-0549366-A1 Thiazolidine compounds containing a quinone group, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-06-30 EP disclosed