SCHEMBL6995787

SCHEMBL6995787

CSc1ccc(C2=C(c3ccccc3Cl)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.39
STK10 O94804 4/20 0.38
SLK Q9H2G2 4/20 0.38
TNKS2 Q9H2K2 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
BRAF P15056 3/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 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
SCHEMBL6998305 0.90 PGR (0.37) PGRTNKS2BRAFMAPTPTGS2
SCHEMBL7002491 0.85 PTGS2 (0.38) PGRPTGS1PTGS2
SCHEMBL6998821 0.85 STK10 (0.42) STK10SLKBRAFAR
SCHEMBL6994230 0.84 PGR (0.36) PGRALDH1A1NPC1RAB9ANR3C1
SCHEMBL7001117 0.84 PGR (0.34) PGRGSK3BBRAFALDH1A1KDM4E
SCHEMBL6998907 0.82 PGR (0.40) PGRGSK3BBRAFNR3C1NR3C2
SCHEMBL6994325 0.82 BRAF (0.34) BRAFAR
SCHEMBL7004400 0.82 PDE3B (0.36) PGRBRAFNR3C2PTGS2
SCHEMBL6994335 0.81 BRAF (0.34) PGRBRAFPTGS1PTGS2
SCHEMBL7001355 0.81 PTGS2 (0.39) PGRSTK10SLKBRAFPTGS1

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 6 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed