SCHEMBL27467950

SCHEMBL27467950

CC1(C)OC(c2ccc(C[SH](=O)=O)cc2)=C(c2cn[nH]c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
AKT2 P31751 1/20 0.33
PRKCQ Q04759 1/20 0.33
ROCK2 O75116 11/20 0.32
CDC7 O00311 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
ROCK1 Q13464 2/20 0.32
DBF4 Q9UBU7 2/20 0.32
WNT3A P56704 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL27467461 0.80 EDNRA (0.41)
SCHEMBL27467952 0.79 GSK3B (0.35)
SCHEMBL27467953 0.79 HRH3 (0.33)
SCHEMBL6995648 0.79 PTGS2 (0.43)
SCHEMBL6996147 0.78 PTGS2 (0.42)
SCHEMBL27466572 0.77 PTGS2 (0.38)
SCHEMBL27485885 0.77 PTGS2 (0.36)
SCHEMBL27465491 0.76 KMT2A (0.36)
SCHEMBL27466576 0.74 PTGS2 (0.43)
SCHEMBL27561221 0.74 NOTUM (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 2 patents. claimed = in the patent's claims; disclosed = body only.

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