SCHEMBL6994889

SCHEMBL6994889

CSc1ccc(C2=C(c3cccc(C(F)(F)F)c3)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
DDR1 Q08345 1/20 0.34
PTGES O14684 1/20 0.34
PTGS1 P23219 1/20 0.34
NOTUM Q6P988 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BRD4 O60885 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MAOB P27338 1/20 0.32
SLC11A2 P49281 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
SCHEMBL6993366 0.89 PGR (0.35) PGRDDR1NOTUMCTSDBACE1
SCHEMBL7002541 0.89 MAPT (0.34) BACE1
SCHEMBL6999681 0.88 PTGS2 (0.37) PGRPTGESPTGS1NOTUMCTSD
SCHEMBL6999122 0.87 PTGS2 (0.43) PGRPTGS1
SCHEMBL7002491 0.85 PTGS2 (0.38) PGRPTGS1
SCHEMBL6998907 0.85 PGR (0.40) PGRPTGS1BACE1
SCHEMBL6997650 0.84 PTGS2 (0.38) PGRPTGS1NOTUMCTSDBACE1
SCHEMBL6998235 0.84 PTGS2 (0.38) PGRPTGS1
SCHEMBL6994167 0.83 PGR (0.42) PGRPTGS1BRD4
SCHEMBL6996578 0.82 ELANE (0.40) PGRDDR1PTGS1SLC11A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed