SCHEMBL7142903

SCHEMBL7142903

CCCCCC1=C(CCCCC)C(=O)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 8/20 0.37
CDC25A P30304 6/20 0.37
CDC25C P30307 5/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
ALOX5 P09917 9/20 0.33
MPEG1 Q2M385 7/20 0.33
PTPN1 P18031 3/20 0.33
XIAP P98170 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
ACP1 P24666 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PTGES O14684 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL3752952 0.70 TDP1 (0.41) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL505901 0.65 ALDH1A1 (0.46) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL82554 0.65 CDC25A (0.69) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL4281978 0.64 ALDH1A1 (0.36) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL2983601 0.64 ALOX5 (0.45) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL3899938 0.64 DUSP3 (0.40) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL9631357 0.63 CDC25A (0.72) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL11176370 0.63 CDC25A (0.72) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL17706772 0.63 CDC25A (0.72) CDC25BCDC25ACDC25CALDH1A1MAPT
SCHEMBL28642404 0.63 ALDH1A1 (0.48) CDC25BCDC25ACDC25CALDH1A1MAPT

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 4 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO claimed