SCHEMBL8441985

SCHEMBL8441985

Cc1oc(-c2cc3ccccc3s2)nc1CCOC1C(=O)ON(Cc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.45
PPARA Q07869 17/20 0.45
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
IKBKB O14920 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8444677 0.85 PPARG (0.47) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL8441980 0.81 PPARG (0.35) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL4885386 0.72 PPARG (0.49) PPARGPPARAIKBKB
SCHEMBL7909907 0.70 FFAR1 (0.59) PPARGPPARA
SCHEMBL5761525 0.69 IKBKB (0.46) PPARGPPARAIKBKBUSP2SMN1; SMN2
SCHEMBL5425749 0.69 PPARG (0.74) PPARGPPARA
SCHEMBL5918538 0.69 PPARG (0.52) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL13633788 0.68 IKBKB (0.47) PPARGPPARAIKBKB
SCHEMBL4885480 0.68 PPARG (0.51) PPARGPPARAIKBKB
SCHEMBL9245429 0.68 PPARG (0.52) PPARGPPARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939445-A ISOXAZOLIDINEDIONES COMPOUNDS AS HYPOGLYCEMIC AGENTS AND TREATMENT OF ARTERIOSCLEROSIS JAPAN TOBACCO, INC. (JP) 1999-08-17 US disclosed
US-5728720-A HYPOGLYCEMIC AGENTS; HYPOLIPIDEMIC AGENTS; TREATMENT OF DIABETES JAPAN TOBACCO INC. (JP) 1998-03-17 US disclosed