SCHEMBL9520353

SCHEMBL9520353

Cc1ccc(-c2nc(CCC(=O)c3ccc(CC4SC(=O)NC4=O)cc3)c(C)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.47
PPARA Q07869 8/20 0.47
MAOA P21397 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
PPARD Q03181 1/20 0.41
MPC2 O95563 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
TP53 P04637 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Darglitazone SCHEMBL37497 0.93 PPARG (0.48) PPARGPPARAPPARDCYP2C9
Darglitazone SCHEMBL20125582 0.93 PPARG (0.48) PPARGPPARAPPARDCYP2C9
Darglitazone SCHEMBL9436449 0.93 PPARG (0.48) PPARGPPARAPPARDCYP2C9
Darglitazone SCHEMBL674635 0.92 PPARG (0.48) PPARGPPARAPPARDCYP2C9
SCHEMBL9520637 0.90 PPARG (0.49) PPARGPPARAMAPTPPARDCYP2C9
SCHEMBL9521756 0.89 PPARG (0.45) PPARGPPARAMAOACISD1MPC2
SCHEMBL9523122 0.86 PPARG (0.44) PPARGPPARAMAOACISD1MAPT
Darglitazone SCHEMBL16554324 0.86 PPARG (0.44) PPARGPPARAPPARDCYP2C9
SCHEMBL9520625 0.83 PPARG (0.45) PPARGMAOACISD1MAPTMPC2
SCHEMBL19559689 0.82 PPARG (0.57) PPARGPPARAMAOACISD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332332-B1 HYPOGLYCEMIC THIAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1993-03-31 EP disclosed
US-5130379-A Anticholesterol agents and antidiabetic agents PFIZER INC. (US) 1992-07-14 US disclosed
US-5036079-A Anticholesterol PFIZER INC. (US) 1991-07-30 US disclosed
WO-1991003474-A1 HYPOGLYCEMIC THIAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1991-03-21 WO disclosed
EP-0332332-A1 Hypoglycemic thiazolidinedione derivatives PFIZER INC. (US) 1989-09-13 EP disclosed