SCHEMBL7875155

SCHEMBL7875155

CCc1cccnc1CCc1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.52
CYP3A4 P08684 2/20 0.51
RXRA P19793 2/20 0.51
MAPT P10636 2/20 0.50
MPC2 O95563 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
FFAR1 O14842 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RARG P13631 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6402925 0.90 PPARG (0.66) PPARGCYP3A4RXRAMAPTMPC2
SCHEMBL1220651 0.90 PPARG (0.66) PPARGCYP3A4RXRAMAPTMPC2
SCHEMBL1162551 0.90 PPARG (0.66) PPARGCYP3A4RXRAMAPTMPC2
Hydrochloric Acid SCHEMBL1162764 0.89 PPARG (0.66) PPARGCYP3A4RXRAMAPTMPC2
SCHEMBL7886291 0.78 PPARG (0.58) PPARGCYP3A4RXRAMAPTMPC2
SCHEMBL5810603 0.77 PPARG (0.61) PPARGCYP3A4RXRAMAPTFFAR1
SCHEMBL7875163 0.77 KDM4E (0.32)
SCHEMBL6866703 0.77 PPARG (0.71) PPARGMAPTFFAR1PPARAALDH1A1
SCHEMBL7879350 0.76 PPARG (0.54) PPARGCYP3A4RXRAMAPTMPC2
SCHEMBL7881736 0.76 PPARG (0.79) PPARGCYP3A4RXRAMAPTMPC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172089-B1 2,4-THIADOLIDINEDIONE INSULIN SENSITIVITY ENHANCER MIXTURE WITH ANGIOTENSIN CONVERTING ENZYME INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US claimed