SCHEMBL6966162

SCHEMBL6966162

CC(C)(C)c1cc2c(cc1Sc1c(O)cc(-c3ccc(OCc4cccnc4)cc3)oc1=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TERT O14746 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HIF1A Q16665 1/20 0.34
PRKDC P78527 1/20 0.34

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
SCHEMBL6963575 0.87 TERT (0.40) MAPK1ALDH1A1SMN1; SMN2TERTNPC1
SCHEMBL6956214 0.87 NPC1 (0.42) MAPK1ALDH1A1SMN1; SMN2TERTNPC1
SCHEMBL6958464 0.85 ADAMTS4 (0.37) MAPK1LMNAALDH1A1SMN1; SMN2HPGD
Cyclohexane SCHEMBL6955484 0.81 ADAMTS4 (0.39) MAPK1LMNATSHRTERTNPC1
Cyclopentane SCHEMBL6955464 0.81 ADAMTS4 (0.39) MAPK1LMNATSHRTERTNPC1
Cyclopropane SCHEMBL6955630 0.81 ADAMTS4 (0.39) MAPK1LMNATSHRTERTNPC1
SCHEMBL6959848 0.80 ADAMTS4 (0.40) MAPK1LMNATSHRSMN1; SMN2TERT
SCHEMBL6958313 0.79 TERT (0.38) MAPK1ALDH1A1HPGDHTTTERT
SCHEMBL6960075 0.79 TERT (0.39) MAPK1LMNATSHRALDH1A1HPGD
SCHEMBL6966499 0.78 TERT (0.38) MAPK1ALDH1A1HPGDHTTTERT

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 10 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
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-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