SCHEMBL7004593

SCHEMBL7004593

CSc1ccc(C(=O)Cc2ccccc2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PLAU P00749 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SRD5A2 P31213 2/20 0.46
GRM1 Q13255 1/20 0.44
KMO O15229 1/20 0.44
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
S1PR5 Q9H228 1/20 0.41
STS P08842 1/20 0.40
HSD11B1 P28845 1/20 0.40
AR P10275 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL6998965 0.82 L3MBTL1 (0.47) L3MBTL1MAPTRAB9ANPC1PLAU
SCHEMBL6721408 0.82 MAPT (0.47) L3MBTL1MAPTRAB9ANPC1PLAU
SCHEMBL1515720 0.81 MAPT (0.66) L3MBTL1MAPTRAB9ANPC1PLAU
SCHEMBL4568726 0.78 SRD5A2 (0.50) L3MBTL1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6738215 0.78 GSK3B (0.50)
SCHEMBL15100944 0.77 MAPT (0.60) L3MBTL1MAPTRAB9ANPC1PLAU
SCHEMBL256731 0.77 MAPT (0.60) L3MBTL1MAPTRAB9ANPC1PLAU
SCHEMBL1515818 0.77 L3MBTL1 (0.65) L3MBTL1MAPTRAB9ANPC1PLAU
SCHEMBL7220907 0.77 MAPT (0.55) L3MBTL1MAPTRAB9ANPC1PLAU
SCHEMBL3939694 0.74 MAPT (0.61) L3MBTL1MAPTRAB9ANPC1PLAU

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 disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed