SCHEMBL7996908

SCHEMBL7996908

CNC(=O)Nc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.56
CYP3A4 P08684 2/20 0.55
RXRA P19793 1/20 0.55
FFAR1 O14842 6/20 0.52
PPARA Q07869 2/20 0.52
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
MPC2 O95563 2/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2C9 P11712 2/20 0.49

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
SCHEMBL8000434 0.88 PPARG (0.57) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL8000917 0.85 PPARG (0.53) PPARGCYP3A4RXRAFFAR1PPARA
Ploglitazone SCHEMBL12160093 0.82 PPARG (0.75) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL6931816 0.82 FFAR1 (0.66) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL7987768 0.82 PPARG (0.57) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL12515224 0.81 FFAR1 (0.69) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL12628242 0.81 PPARG (0.63) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL6381220 0.79 FFAR1 (0.65) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL7996885 0.79 PPARG (0.61) PPARGCYP3A4RXRAFFAR1PPARA
SCHEMBL7998440 0.79 PPARG (0.61) PPARGCYP3A4RXRAFFAR1PPARA

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-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed