SCHEMBL6995597

SCHEMBL6995597

C[S+]([O-])c1ccc(C2=C(c3ccccc3Cl)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.38
BRAF P15056 4/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
IL2 P60568 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
SCHEMBL7000064 0.90 PGR (0.35) PGRBRAFTNKS2PTGS2
SCHEMBL6997346 0.85 PTGS2 (0.32) PGRPTGS2PTGS1
SCHEMBL7002071 0.85 STK10 (0.33) BRAFARSTK10SLK
SCHEMBL6999940 0.85 PTGS2 (0.36) PGRPTGS2PTGS1NR3C1NR3C2
SCHEMBL6995754 0.84 PGR (0.33) PGRBRAFPTGS2PTGS1NR3C1
SCHEMBL7001576 0.83 PGR (0.38) PGRBRAFPTGS2PTGS1NR3C1
SCHEMBL6996435 0.83 BRAF (0.35) PGRBRAFPTGS2PTGS1NR3C2
SCHEMBL7001152 0.83 BRAF (0.35) BRAFPTGS2PTGS1
SCHEMBL7003355 0.82 BRAF (0.33) BRAFPTGS2PTGS1
SCHEMBL6997310 0.82 PTGS2 (0.39) PGRPTGS2PTGS1NR3C1NR3C2

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