SCHEMBL6958501

SCHEMBL6958501

CC(=O)Oc1ccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAPDH P04406 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
CREB1 P16220 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL6961094 0.88 NTRK1 (0.49) MAPTKDM4ESMN1; SMN2CYP3A4HSD17B10
SCHEMBL6963494 0.86 PTGES (0.43) MAPTKDM4ESMN1; SMN2CYP3A4HSD17B10
SCHEMBL6961039 0.85 SMN1; SMN2 (0.46) MAPTKDM4ESMN1; SMN2CYP3A4HSD17B10
SCHEMBL6958498 0.85 XDH (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL6964073 0.85 AR (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL6954863 0.84 ABCB1 (0.39) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL6954281 0.84 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL6960601 0.84 AR (0.41) SMN1; SMN2POLBL3MBTL1MAOB
SCHEMBL6965151 0.83 ABCB1 (0.45) MAPTL3MBTL1MAOBACHE
SCHEMBL7133472 0.83 CREB1 (0.42) MAPTKDM4ESMN1; SMN2CYP3A4HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed