SCHEMBL6958282

SCHEMBL6958282

O=C(COCC1CCCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.46
PTGDR Q13258 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4117987 0.98 PTGIR (0.47) PTGIRPTGDRALDH1A1SMN1; SMN2LMNA
SCHEMBL7081529 0.92 PTGIR (0.52) PTGIRPTGDRALDH1A1SMN1; SMN2KMT2A
SCHEMBL5088681 0.80 KMT2A (0.48) PTGIRPTGDRALDH1A1SMN1; SMN2LMNA
SCHEMBL5088680 0.80 MEN1 (0.41) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2438485 0.78 EPHX2 (0.57) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7094216 0.78 EPHX2 (0.57) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL1278317 0.78 EPHX2 (0.57) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL28595923 0.78 EPHX2 (0.57) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL13383877 0.77 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNAKMT2ARAB9A
SCHEMBL7452740 0.77 CARM1 (0.57) LMNAKMT2AMEN1TDP1ATM

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-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-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