SCHEMBL7370955

SCHEMBL7370955

O=c1oc(-c2ccc(OCc3cccnc3)cc2)cc(O)c1Cc1ccccc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.38
PRKDC P78527 3/20 0.38
GPR119 Q8TDV5 1/20 0.38
TYK2 P29597 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
VKORC1 Q9BQB6 1/20 0.37
PTPN1 P18031 2/20 0.37
MAPT P10636 2/20 0.37
ABCB1 P08183 1/20 0.37
MKNK2 Q9HBH9 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL6960075 0.83 TERT (0.39) TERTPRKDCGPR119TYK2BRD4
SCHEMBL6958313 0.80 TERT (0.38) TERTPRKDCGPR119TYK2BRD4
SCHEMBL6966499 0.79 TERT (0.38) TERTPRKDCGPR119TYK2BRD4
SCHEMBL7374103 0.78 CREB1 (0.48) TERTPRKDCPTPN1MAPTABCB1
SCHEMBL8540378 0.77 ACHE (0.48) TERTPRKDCMAOAACHEMAOB
SCHEMBL7370949 0.76 ADAMTS4 (0.40) TERTPRKDCGPR119PTPN1MAPT
SCHEMBL6955620 0.75 NPC1 (0.37) TERTPRKDCGPR119TYK2BRD4
SCHEMBL6963290 0.75 TERT (0.43) TERTPTPN1MAPTABCB1MAPK1
SCHEMBL8537312 0.73 ADAMTS4 (0.38) TERTGPR119TYK2MAPTABCB1
SCHEMBL7460561 0.73 KDM4E (0.40) MAOAMAPK1KDM4EALDH1A1HPGD

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