SCHEMBL6999736

SCHEMBL6999736

CSc1ccc(C2=C(c3ccccc3Cl)C(=O)C(C)(C)O2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK10 O94804 4/20 0.42
SLK Q9H2G2 4/20 0.42
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PGR P06401 2/20 0.35
BRAF P15056 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD11B1 P28845 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL7001219 0.90 PTGS2 (0.34) PGRBRAFMAPTPTGS1PTGS2
SCHEMBL6995715 0.85 PTGS2 (0.43) GSK3BHSD11B1PTGS1PTGS2
SCHEMBL7000928 0.83 BRAF (0.35) PGRBRAFALDH1A1MAPTHPGD
SCHEMBL6996397 0.82 GSK3B (0.43) GSK3BPGRBRAFPTGS1PTGS2
SCHEMBL7000841 0.81 BRAF (0.35) BRAFMAPTTDP1PTGS1PTGS2
SCHEMBL6995398 0.81 STK10 (0.43) STK10SLKBRAFHSD11B1PTGS1
SCHEMBL6998169 0.81 PGR (0.34) STK10SLKPGRBRAFALDH1A1
SCHEMBL6997325 0.80 PTGS2 (0.36) PGRPTGS1PTGS2
SCHEMBL6999283 0.80 PTGS2 (0.33) PGRPTGS1PTGS2
SCHEMBL7001128 0.80 PTGS2 (0.41) BRAFPTGS1PTGS2

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