SCHEMBL7000718

SCHEMBL7000718

CSc1ccc(C2=C(c3ccc(Cl)cc3)C(=O)C(C)(C)O2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GSK3B P49841 1/20 0.33
PTGS2 P35354 2/20 0.32
CCR2 P41597 2/20 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
SCHEMBL7001916 0.89 PTGS2 (0.38) PTGS2
SCHEMBL6995349 0.89 PGR (0.40) PGRGSK3B
SCHEMBL6999522 0.88 PGR (0.33) PGRPTGS2
SCHEMBL6995081 0.88 PGR (0.36) PGRKDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL7001117 0.85 PGR (0.34) PGRKDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL6997789 0.84 PTGS2 (0.34) PGRPTGS2
SCHEMBL6999756 0.81 PTGS2 (0.42) PGRPTGS2
SCHEMBL6995576 0.81 BRAF (0.33)
SCHEMBL7003050 0.80 PTGS2 (0.39) PGRPTGS2
SCHEMBL6997842 0.80 PTGS2 (0.40) PGRKDM4EALDH1A1PTGS2CCR2

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