SCHEMBL6974817

SCHEMBL6974817

Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)CCOc1ccc(CC3SC(=O)NC3=O)cc1)O2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PPARG P37231 13/20 0.47
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXRA P19793 2/20 0.42
RARG P13631 1/20 0.42
PPARA Q07869 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL6967584 0.93 MEN1 (0.49) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL6975391 0.91 MEN1 (0.49) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL10635803 0.88 MEN1 (0.54) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL6977206 0.88 PPARG (0.46) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL10641976 0.88 MAPT (0.53) MEN1MAPTKMT2ATDP1PPARG
Troglitazone SCHEMBL21630 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1PPARG
Troglitazone SCHEMBL15888838 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1PPARG
Troglitazone SCHEMBL5672813 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1PPARG
Troglitazone SCHEMBL1536757 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1PPARG
Troglitazone SCHEMBL8496660 0.88 MEN1 (0.64) MEN1MAPTKMT2ATDP1PPARG

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-0801063-B1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2003-01-15 EP disclosed
EP-0801063-A1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-10-15 EP disclosed