SCHEMBL7002126

SCHEMBL7002126

C[S+]([O-])c1ccc(C2=C(c3ccc(F)cc3F)C(=O)C(C)(C)O2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.36
MALT1 Q9UDY8 1/20 0.33
PTGS2 P35354 2/20 0.32
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD11B1 P28845 1/20 0.30
BRD4 O60885 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL6996428 0.93 BRAF (0.35) BRAFMALT1CA1CA2CA7
SCHEMBL6993854 0.89 BRAF (0.33) BRAFMEN1KMT2APGRPDE3B
SCHEMBL7001577 0.89 PTGS2 (0.34) BRAFMALT1PTGS2MEN1ALDH1A1
SCHEMBL7001563 0.87 PTGS2 (0.34) PTGS2PDE3BPDE3A
SCHEMBL7000370 0.86 PTGS2 (0.42) BRAFPTGS2HSD11B1PGRPDE3B
SCHEMBL6999726 0.84 HSD11B1 (0.32) PTGS2MEN1HPGDKMT2AHSD11B1
SCHEMBL6998169 0.84 PGR (0.34) BRAFALDH1A1HPGDHSD11B1PGR
SCHEMBL7001164 0.83 PTGS2 (0.38) PTGS2PGRPDE3BPDE3A
SCHEMBL6996610 0.83 BRAF (0.38) BRAFMALT1CA1CA2CA7
SCHEMBL6996435 0.81 BRAF (0.35) BRAFMALT1PTGS2HSD11B1PGR

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