SCHEMBL8934005

SCHEMBL8934005

COc1cc2c(cc1F)oc1c(C(F)(F)F)nn(-c3ccccc3S(C)(=O)=O)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.40
PTGS1 P23219 1/20 0.36
F10 P00742 7/20 0.36
AXL P30530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
CTSG P08311 1/20 0.32
KLK7 P49862 1/20 0.32
KLK14 Q9P0G3 1/20 0.32
KLK5 Q9Y337 1/20 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
SCHEMBL8934004 0.84 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8933932 0.79 PTGS2 (0.55) PTGS2PTGS1ALDH1A1
SCHEMBL8937611 0.67 PTGS2 (0.71) PTGS2PTGS1F10
SCHEMBL8933813 0.64 PTGS2 (0.55) PTGS2PTGS1F10
SCHEMBL675236 0.61 PTGS2 (0.60) PTGS2PTGS1F10
SCHEMBL8758682 0.61 LMNA (0.44) PTGS2F10ALDH1A1LMNASMN1; SMN2
SCHEMBL8691387 0.61 PTGS2 (0.46) PTGS2PTGS1F10
SCHEMBL8058061 0.60 PTGS2 (0.59) PTGS2PTGS1F10
SCHEMBL8933979 0.60 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6324134 0.60 PTGS2 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO claimed