SCHEMBL27467461

SCHEMBL27467461

COc1ccc(C2=C(c3ccc(C[SH](=O)=O)cc3)OC(C)(C)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.41
EDNRB P24530 2/20 0.41
NPSR1 Q6W5P4 2/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 1/20 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
SCHEMBL27467952 0.85 GSK3B (0.35) KDM4ELMNAMAPTPTGS2
SCHEMBL27467953 0.85 HRH3 (0.33)
SCHEMBL27466572 0.82 PTGS2 (0.38) ALDH1A1PTGS2
SCHEMBL27465491 0.81 KMT2A (0.36) LMNAMAPT
SCHEMBL286649 0.80 ESR2 (0.50) EDNRAEDNRBALDH1A1HPGDKDM4E
SCHEMBL1419877 0.80 ESR2 (0.50) EDNRAEDNRBALDH1A1HPGDKDM4E
SCHEMBL27485885 0.80 PTGS2 (0.36) PTGS2
SCHEMBL27467950 0.80 PDE3B (0.33)
SCHEMBL7897258 0.79 PTGS2 (0.41) HPGDMAPTPTGS2
SCHEMBL12188829 0.79 PTGS2 (0.41) HPGDMAPTPTGS2

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