SCHEMBL9664758

SCHEMBL9664758

O=C1NC(=O)C(Cc2ccc3c(c2)CCC(Cc2ccc(OCc4ccccc4)cc2)O3)S1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.58
PPARA Q07869 4/20 0.56
PPARG P37231 4/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL9665642 0.99 FFAR1 (0.59) FFAR1PPARAPPARGITGB3ITGA2B
Englitazone SCHEMBL22607925 0.92 PPARG (0.49) FFAR1PPARAPPARGALDH1A1MAPT
Englitazone SCHEMBL8522765 0.92 PPARG (0.49) FFAR1PPARAPPARGALDH1A1MAPT
Englitazone SCHEMBL29377687 0.91 PPARG (0.50) FFAR1PPARAPPARGALDH1A1MAPT
Englitazone SCHEMBL20125579 0.91 PPARG (0.50) FFAR1PPARAPPARGALDH1A1MAPT
Englitazone SCHEMBL4727851 0.91 PPARG (0.50) FFAR1PPARAPPARGALDH1A1MAPT
Englitazone SCHEMBL20125577 0.91 PPARG (0.50) FFAR1PPARAPPARGALDH1A1MAPT
Englitazone SCHEMBL37697 0.91 PPARG (0.50) FFAR1PPARAPPARGALDH1A1MAPT
Englitazone SCHEMBL9367929 0.90 PPARG (0.49) FFAR1PPARAPPARGALDH1A1MAPT
SCHEMBL10638775 0.82 FFAR1 (0.52) FFAR1PPARAPPARGMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319189-B1 THIAZOLIDINEDIONES AS HYPOGLYCEMIC AND ANTI-ATHEROSCLEROSIS AGENTS PFIZER INC. (US) 1992-06-10 EP disclosed
EP-0319189-A1 Thiazolidinediones as hypoglycemic and anti-atherosclerosis agents PFIZER INC. (US) 1989-06-07 EP disclosed
US-4791125-A Thiazolidinediones as hypoglycemic and anti-atherosclerosis agents PFIZER INC. (US) 1988-12-13 US disclosed