SCHEMBL7842499

SCHEMBL7842499

Cc1cc(C)c2c(c1C)OC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
FFAR1 O14842 5/20 0.47
PPARA Q07869 2/20 0.45
PPARG P37231 11/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MPC2 O95563 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9532951 0.90 MEN1 (0.58) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL30050392 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL8496660 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL4959 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL5672808 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL21630 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL15888838 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL5672813 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL1536757 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1
Troglitazone SCHEMBL29349864 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752422-B1 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2017-08-16 EP disclosed
US-6313164-B1 TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS SANKYO COMPANY, LIMITED (JP) 2001-11-06 US disclosed
EP-1070710-A2 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-6013663-A CATARACT THERAPY OR PREVENTION SANKYO COMPANY, LIMITED (JP) 2000-01-11 US disclosed
EP-0869126-A1 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 1998-10-07 EP disclosed