SCHEMBL7933985

SCHEMBL7933985

CC(Oc1ccc(CC2SC(=O)NC2=O)cc1)C1Cc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.48
PPARG P37231 8/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARA Q07869 3/20 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
SCHEMBL7835306 0.79 FFAR1 (0.55) FFAR1PPARGMAPTMEN1ALDH1A1
SCHEMBL873106 0.77 MAPT (0.58) FFAR1PPARGMAPTMEN1ALDH1A1
SCHEMBL11091445 0.76 MAPT (0.52) FFAR1PPARGMAPTMEN1ALDH1A1
SCHEMBL11083788 0.76 MAPT (0.52) FFAR1PPARGMAPTMEN1ALDH1A1
SCHEMBL21504716 0.75 MAPT (0.57) FFAR1PPARGMAPTMEN1ALDH1A1
SCHEMBL11083969 0.74 MAPT (0.53) FFAR1PPARGMAPTMEN1ALDH1A1
SCHEMBL11078939 0.74 MAPT (0.52) FFAR1PPARGMAPTMEN1ALDH1A1
SCHEMBL7837262 0.73 PPARG (0.50) FFAR1PPARGPPARA
SCHEMBL11085899 0.72 MAPT (0.50) FFAR1PPARGMAPTMEN1ALDH1A1
SCHEMBL5184408 0.71 PPARG (0.69) FFAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000041690-A9 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM UNIV CALIFORNIA (US) 2001-10-11 WO claimed
WO-2000041690-A1 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-20 WO claimed
WO-2000041690-A9 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM UNIV CALIFORNIA (US) 2001-10-11 WO disclosed
WO-2000041690-A1 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-20 WO disclosed