SCHEMBL8102655

SCHEMBL8102655

CCC(Oc1ccc(C)cc1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.33
PPARG P37231 2/20 0.32

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
SCHEMBL7453437 0.93 FFAR4 (0.30) PTGDR2
SCHEMBL7459625 0.93
SCHEMBL7462836 0.93
SCHEMBL8344753 0.92
SCHEMBL8094306 0.91
SCHEMBL8087542 0.91
SCHEMBL7458665 0.91
SCHEMBL7452375 0.90 PPARG (0.33) PTGDR2PPARDPPARAPPARG
SCHEMBL7457391 0.90 PPARG (0.33) PTGDR2PPARDPPARAPPARG
SCHEMBL7467155 0.90

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-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed