SCHEMBL7370949

SCHEMBL7370949

O=c1oc(-c2ccc(OCc3cccnc3)cc2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.40
TERT O14746 3/20 0.40
PRKDC P78527 2/20 0.40
GPR132 Q9UNW8 4/20 0.40
PTPN1 P18031 2/20 0.39
MAPT P10636 2/20 0.39
ABCB1 P08183 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR1 O14842 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38

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
SCHEMBL8537316 0.89 ADAMTS4 (0.44) ADAMTS4HTT
SCHEMBL7371148 0.88 ADAMTS4 (0.43) ADAMTS4GPR132HTT
SCHEMBL7376620 0.85 ADAMTS4 (0.42) ADAMTS4TERTGPR132PTPN1MAPT
SCHEMBL7374103 0.80 CREB1 (0.48) TERTPRKDCGPR132PTPN1MAPT
SCHEMBL8540378 0.77 ACHE (0.48) ADAMTS4TERTPRKDCPRKAB2PRKAG1
SCHEMBL7376287 0.77 PRKDC (0.42) ADAMTS4TERTPRKDCGPR132PTPN1
SCHEMBL7371500 0.77 ADAMTS4 (0.42) ADAMTS4TERTPRKDCGPR132RAB9A
SCHEMBL9195202 0.77 TBXAS1 (0.41) ALDH1A1
SCHEMBL6963290 0.77 TERT (0.43) ADAMTS4TERTGPR132PTPN1MAPT
SCHEMBL7370955 0.76 TERT (0.38) TERTPRKDCPTPN1MAPTABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014013-A1 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
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