SCHEMBL6506192

SCHEMBL6506192

CC(=O)OCC#Cc1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
PPARG P37231 8/20 0.49
FFAR1 O14842 4/20 0.48
PPARA Q07869 2/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MPC2 O95563 2/20 0.46
CYP2C8 P10632 2/20 0.46
CYP2C9 P11712 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAOA P21397 2/20 0.45

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
SCHEMBL8282053 0.76 PPARG (0.70) MAPTPPARGFFAR1PPARAHPGD
SCHEMBL9516553 0.74 MAPT (0.65) MAPTPPARGFFAR1PPARAHPGD
SCHEMBL9371970 0.74 MAPT (0.65) MAPTPPARGFFAR1PPARAHPGD
SCHEMBL6509096 0.72 PPARG (0.50) MAPTPPARGFFAR1PPARAHRH3
SCHEMBL19217579 0.71 PPARG (0.67) MAPTPPARGFFAR1PPARAHPGD
SCHEMBL19828508 0.71 PPARG (0.67) MAPTPPARGFFAR1PPARAHPGD
SCHEMBL2608677 0.71 PPARG (0.67) MAPTPPARGFFAR1PPARAHPGD
SCHEMBL290413 0.71 MAPT (0.75) MAPTPPARGFFAR1PPARAHPGD
SCHEMBL3840336 0.71 FFAR1 (0.65) MAPTPPARGFFAR1PPARAHPGD
SCHEMBL6529595 0.70 PPARG (0.48) MAPTPPARGFFAR1PPARAHPGD

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
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed