SCHEMBL6963969

SCHEMBL6963969

CC(=O)c1ccc(OCc2cccnc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
MRGPRX4 Q96LA9 4/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
LRRK2 Q5S007 2/20 0.47
KMT2A Q03164 2/20 0.46
TBXAS1 P24557 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.46
NOTUM Q6P988 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MRGPRX1 Q96LB2 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL12111187 0.86 LMNA (0.46) BRD4LMNARECQLMRGPRX4CYP11B1
SCHEMBL385027 0.84 FFAR4 (0.62) MRGPRX4ALDH1A1L3MBTL1SMN1; SMN2FFAR4
SCHEMBL29783148 0.84 FFAR4 (0.62) MRGPRX4ALDH1A1L3MBTL1SMN1; SMN2FFAR4
SCHEMBL30359958 0.81 BRD4 (0.48) BRD4LMNACYP11B1CYP11B2
SCHEMBL21585879 0.81 BRD4 (0.48) BRD4LMNACYP11B1CYP11B2
SCHEMBL6955979 0.80 MAOB (0.68) LMNACYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL30354972 0.79 CYP19A1 (0.55) LMNACYP11B1CYP11B2LRRK2KMT2A
SCHEMBL13642585 0.79 SMN1; SMN2 (0.59) LMNALRRK2KMT2AMEN1ALDH1A1
SCHEMBL7914979 0.78 ALDH1A1 (0.48) LMNALRRK2KMT2AMEN1ALDH1A1
SCHEMBL13814708 0.76 ALDH1A1 (0.47) LMNACYP11B1CYP11B2LRRK2KMT2A

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 7 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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 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