SCHEMBL7375817

SCHEMBL7375817

CC(C)(C)c1ccccc1Oc1c(O)cc(-c2ccc(OCc3cccnc3)cc2)oc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TERT O14746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR132 Q9UNW8 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PTPN1 P18031 2/20 0.37
P2RY1 P47900 1/20 0.37
ADAMTS4 O75173 1/20 0.37
ABCB1 P08183 1/20 0.37
GRM2 Q14416 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL7379170 0.91 DHODH (0.39) KMT2AMAPK1MAPTNPC1RAB9A
SCHEMBL7371871 0.88 ADAMTS4 (0.41) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL7374103 0.83 CREB1 (0.48) MEN1KMT2AMAPK1MAPTRAB9A
SCHEMBL6963575 0.82 TERT (0.40) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL8540378 0.79 ACHE (0.48) TERTADAMTS4GRM2DHODHACACB
SCHEMBL6956214 0.77 NPC1 (0.42) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL7460561 0.76 KDM4E (0.40) MEN1KMT2AMAPK1NPC1RAB9A
SCHEMBL6958464 0.75 ADAMTS4 (0.37) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL6966162 0.75 MAPK1 (0.39) KMT2AMAPK1MAPTNPC1RAB9A
SCHEMBL6963290 0.75 TERT (0.43) MEN1KMT2AMAPK1MAPTALDH1A1

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

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