SCHEMBL6999726

SCHEMBL6999726

C[S+]([O-])c1ccc(C2=C(c3ccccc3)C(=O)C(C)(C)O2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
HK2 P52789 1/20 0.30
PTGS1 P23219 4/20 0.30
PTGS2 P35354 4/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
FABP2 P12104 1/20 0.30
TSHR P16473 1/20 0.30
AKR1C4 P17516 1/20 0.30
ADRA2B P18089 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2C P28335 1/20 0.30
DRD3 P35462 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
LMNA P02545 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
SCHEMBL7001577 0.91 PTGS2 (0.34) PDE3BPDE3APTGS1PTGS2MEN1
SCHEMBL7000370 0.90 PTGS2 (0.42) HSD11B1PDE3BPDE3APTGS1PTGS2
SCHEMBL7001563 0.88 PTGS2 (0.34) PDE3BPDE3APTGS1PTGS2
SCHEMBL6993854 0.88 BRAF (0.33) PDE3BPDE3AMEN1KMT2AMAPT
SCHEMBL6994790 0.88 PGR (0.36) PTGS1PTGS2CYP1A2
SCHEMBL7001164 0.87 PTGS2 (0.38) PDE3BPDE3APTGS1PTGS2AKR1C3
SCHEMBL6997443 0.86 AKR1C3 (0.38) PTGS1AKR1C3AKR1C2
SCHEMBL6999198 0.86 PTGS2 (0.32) HK2PTGS2TSHRHPGD
SCHEMBL6998169 0.85 PGR (0.34) HSD11B1MAPTHPGD
SCHEMBL7002126 0.84 BRAF (0.36) HSD11B1PDE3BPDE3APTGS2MEN1

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
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
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
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN 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