SCHEMBL6992401

SCHEMBL6992401

C[S+]([O-])c1ccc(C2=C(c3cc(F)ccc3F)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.37
PGR P06401 3/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL6998160 0.92 BRAF (0.37) BRAFPGRNR3C1NR3C2AR
SCHEMBL7001152 0.90 BRAF (0.35) BRAFPTGS2PTGS1
SCHEMBL7003571 0.88 PTGS2 (0.33) BRAFPGRNR3C1NR3C2AR
SCHEMBL6995894 0.88 BRAF (0.33) BRAF
SCHEMBL6995643 0.86 PTGS2 (0.37) BRAFPGRNR3C1NR3C2AR
SCHEMBL6994340 0.85 PTGS2 (0.35) PGRNR3C1NR3C2ARPTGS2
SCHEMBL6992436 0.84 PTGS2 (0.43) BRAFPGRPTGS2PTGS1
SCHEMBL7001623 0.83 PGR (0.34) PGRNR3C1NR3C2ARPTGS2
SCHEMBL7001382 0.82 BRAF (0.42) BRAFPGRNR3C1NR3C2AR
SCHEMBL6996435 0.82 BRAF (0.35) BRAFPGRNR3C2PTGS2PTGS1

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