SCHEMBL10688903

SCHEMBL10688903

O=C1NC(=O)C(c2ccc3c(c2)CCC(Cc2ccccc2)C3O)S1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.45
▸ PPARG P37231 5/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ STS P08842 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ LTB4R Q15722 8/20 0.36
▸ LTB4R2 Q9NPC1 8/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36

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
SCHEMBL10690807 0.83 PPARG (0.50) CA2PPARGPPARAFFAR1
SCHEMBL10690582 0.77 PPARG (0.48) CA2PPARGPPARAFFAR1
SCHEMBL31558350 0.72 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL10686384 0.72 PPARG (0.52) CA2PPARGPPARAFFAR1
SCHEMBL7243217 0.70 SLC6A9 (0.55) LTB4RLTB4R2
SCHEMBL7450732 0.67 CA2 (0.51) CA2PPARGPPARDPPARADDB1
SCHEMBL22480924 0.67 CA2 (0.60) CA2PPARGPPARDPPARADDB1
SCHEMBL7450830 0.67 CA2 (0.51) CA2PPARGPPARDPPARADDB1
SCHEMBL7251512 0.66 ACHE (0.51) —
SCHEMBL6570475 0.66 CA2 (1.00) CA2PPARGPPARDPPARADDB1

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-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 — — US disclosed
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