SCHEMBL27484130

SCHEMBL27484130

CCC1(CC)OC(c2ccc(C[SH](=O)=O)cc2)=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.35
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
DRD2 P14416 4/20 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
SCHEMBL27484472 0.84 SIGMAR1 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27467008 0.81 SIGMAR1 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6995128 0.77 PTGS2 (0.38) SIGMAR1DRD2
SCHEMBL27508336 0.72
SCHEMBL27465487 0.70 HSD11B1 (0.33)
SCHEMBL27485192 0.66
SCHEMBL18571330 0.66 ALDH1A1 (0.46)
SCHEMBL28997882 0.65 ALDH1A1 (0.31)
SCHEMBL27850508 0.61 TAAR1 (0.50)
SCHEMBL18018982 0.60

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