SCHEMBL7369214

SCHEMBL7369214

O=C(C1CCCC1)N(CC1CCCC1)c1c(O)cc(-c2ccc(OCc3cccnc3)cc2)oc1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
MAPT P10636 5/20 0.40
GPR132 Q9UNW8 1/20 0.39
PRKDC P78527 3/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
TYK2 P29597 1/20 0.38
TERT O14746 2/20 0.38
CNR1 P21554 1/20 0.36
LMNA P02545 1/20 0.36
SLC2A1 P11166 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 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
SCHEMBL7374496 0.85 MAPT (0.37) TP53MAPTGPR132PRKDCLMNA
SCHEMBL7371304 0.84 PRKDC (0.39) GPR132PRKDCTYK2TERT
SCHEMBL8540378 0.74 ACHE (0.48) PRKDCPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7457663 0.74 GPR132 (0.40) GPR132PRKDCCNR1LMNA
SCHEMBL7373615 0.73 GPR132 (0.39) GPR132PRKDCCNR1LMNA
SCHEMBL7374103 0.73 CREB1 (0.48) MAPTGPR132PRKDCPRKAB2PRKAG1
SCHEMBL6958313 0.72 TERT (0.38) MAPTGPR132PRKDCTYK2TERT
SCHEMBL6966499 0.71 TERT (0.38) MAPTGPR132PRKDCTYK2TERT
SCHEMBL7370955 0.71 TERT (0.38) TP53MAPTPRKDCPRKAB2PRKAG1
SCHEMBL7370949 0.71 ADAMTS4 (0.40) MAPTGPR132PRKDCPRKAB2PRKAG1

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