SCHEMBL5883494

SCHEMBL5883494

COc1cc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc(OC)n1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.69
PPARA Q07869 3/20 0.69
RXRA P19793 2/20 0.58
RARG P13631 1/20 0.58
MPC2 O95563 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
FFAR1 O14842 4/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5884246 0.90 PPARG (0.68) PPARGPPARARXRARARGMPC2
SCHEMBL5884045 0.87 PPARG (0.86) PPARGPPARARXRARARGMPC2
Lobeglitazone SCHEMBL2742697 0.82 PPARG (1.00) PPARGPPARARXRARARGMPC2
Lobeglitazone SCHEMBL20125580 0.82 PPARG (1.00) PPARGPPARARXRARARGMPC2
Lobeglitazone SCHEMBL29356140 0.82 PPARG (1.00) PPARGPPARARXRARARGMPC2
Lobeglitazone SCHEMBL20125583 0.82 PPARG (1.00) PPARGPPARARXRARARGMPC2
SCHEMBL5883667 0.80 PPARG (0.66) PPARGPPARARXRARARGFFAR1
SCHEMBL5883617 0.80 PPARG (0.75) PPARGPPARARXRARARGFFAR1
SCHEMBL5883194 0.80 PPARG (0.65) PPARGPPARARXRARARGFFAR1
Lobeglitazone SCHEMBL29778221 0.79 PPARG (1.00) PPARGPPARARXRARARGMPC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001910-B1 Thiazolidinedione derivatives as antidiabetic agents VITA-INVEST S.A. (ES) 2006-02-21 US claimed
EP-1231211-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA INVEST SA (ES) 2003-05-28 EP claimed
EP-1231211-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA-INVEST, S.A. (ES) 2002-08-14 EP claimed
US-7001910-B1 Thiazolidinedione derivatives as antidiabetic agents VITA-INVEST S.A. (ES) 2006-02-21 US disclosed
EP-1231211-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA INVEST SA (ES) 2003-05-28 EP disclosed
EP-1231211-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA-INVEST, S.A. (ES) 2002-08-14 EP disclosed