SCHEMBL8416709

SCHEMBL8416709

CCOC(=O)C1=Cc2cc(Cl)cc(CCCCCCl)c2OC1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.50
PTGS1 P23219 15/20 0.50

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
SCHEMBL3870987 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8261921 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL31539108 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6094138 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL31539097 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5646384 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL16893793 0.83 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL20921387 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL22540834 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8338634 0.83 PTGS2 (0.67) PTGS2PTGS1

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
EP-0977748-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-02-09 EP disclosed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 WO disclosed