SCHEMBL27465491

SCHEMBL27465491

CC(=O)c1ccc(C2=C(c3ccc(C[SH](=O)=O)cc3)OC(C)(C)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
HSD17B1 P14061 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
BRD4 O60885 1/20 0.32
MAOB P27338 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PTGER4 P35408 1/20 0.31
EGFR P00533 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
SCHEMBL27465492 0.88 PGR (0.39) BRD4MAOB
SCHEMBL27485554 0.87 KMT2A (0.34) KMT2ALMNAMMP2MMP9MMP8
SCHEMBL27467952 0.86 GSK3B (0.35) KMT2ALMNAMAPTSMN1; SMN2EGFR
SCHEMBL27519473 0.86 KMT2A (0.35) KMT2ALMNAMMP2MMP9MMP8
SCHEMBL27467953 0.84 HRH3 (0.33)
SCHEMBL27466572 0.81 PTGS2 (0.38)
SCHEMBL27467461 0.81 EDNRA (0.41) LMNAMAPT
SCHEMBL27485885 0.79 PTGS2 (0.36)
SCHEMBL6997640 0.78 PTGS2 (0.46) MMP2MMP9MMP8
SCHEMBL6994970 0.77 CA2 (0.46)

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