SCHEMBL6955460

SCHEMBL6955460

CC(C)c1ccc(C2CCCC2)c(Sc2c(O)cc(-c3ccc(OCc4cccnc4)cc3)oc2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 1/20 0.36
ADAMTS4 O75173 1/20 0.35
TERT O14746 3/20 0.35
GPR132 Q9UNW8 2/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
PRKDC P78527 1/20 0.34
TYK2 P29597 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL6955477 0.99 GPR132 (0.36) NPC1LMNAHPGDRAB9AMDM2
SCHEMBL6955620 0.97 NPC1 (0.37) NPC1LMNAHPGDRAB9AMDM2
SCHEMBL6958313 0.89 TERT (0.38) HPGDTERTGPR132KMT2AATM
SCHEMBL6966499 0.88 TERT (0.38) HPGDTERTGPR132GPR119PRKDC
SCHEMBL6964866 0.88 ADAMTS4 (0.39) NPC1LMNAHPGDRAB9AMDM2
SCHEMBL6960075 0.85 TERT (0.39) NPC1LMNAHPGDRAB9ATERT
SCHEMBL6958464 0.85 ADAMTS4 (0.37) NPC1LMNAHPGDRAB9AMDM2
Cyclohexane SCHEMBL6955484 0.85 ADAMTS4 (0.39) NPC1LMNARAB9AACACBADAMTS4
Cyclopropane SCHEMBL6955630 0.85 ADAMTS4 (0.39) NPC1LMNARAB9AACACBADAMTS4
Cyclopentane SCHEMBL6955464 0.85 ADAMTS4 (0.39) NPC1LMNARAB9AACACBADAMTS4

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-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
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