SCHEMBL6993265

SCHEMBL6993265

C[S+]([O-])c1ccc(C2=C(c3cc(F)cc(C(F)(F)F)c3)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 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
SCHEMBL6999796 0.90 PTGS2 (0.39) PGRPTGS1PTGS2
SCHEMBL6993481 0.88 NOTUM (0.36) PGR
SCHEMBL7003700 0.85 PGR (0.37) PGRRXRAPTGS1PTGS2
SCHEMBL6995348 0.85 RXRA (0.42) RXRARXRBRXRG
SCHEMBL6994647 0.84 PTGS1 (0.49) PGRPTGS1PTGS2
SCHEMBL6999359 0.84 PGR (0.44) PGRPTGS1PTGS2
SCHEMBL7001802 0.83 KIF11 (0.43) PGRPTGS1PTGS2
SCHEMBL6996376 0.82 PTGS2 (0.38) PGRPTGS1PTGS2
SCHEMBL6997285 0.81 PTGS2 (0.47) PGRPTGS1PTGS2
SCHEMBL6994363 0.78 PDE3B (0.34)

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 3 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
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed