SCHEMBL6955461

SCHEMBL6955461

CC(CC1CCCC1)c1cccc(Sc2c(O)cc(-c3ccc(OCc4cccnc4)cc3)oc2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.40
ADAMTS4 O75173 1/20 0.38
TERT O14746 5/20 0.38
GPR84 Q9NQS5 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 2/20 0.34
TYK2 P29597 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CSF1R P07333 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL6955480 0.99 GPR132 (0.42) GPR132ADAMTS4TERTGPR84GPR119
SCHEMBL6955626 0.97 ADAMTS4 (0.39) GPR132ADAMTS4TERTGPR84GPR119
SCHEMBL6955460 0.81 NPC1 (0.36) GPR132ADAMTS4TERTGPR84GPR119
SCHEMBL6955477 0.80 GPR132 (0.36) GPR132ADAMTS4TERTGPR84GPR119
SCHEMBL6955620 0.79 NPC1 (0.37) GPR132ADAMTS4TERTGPR119ACACB
Cyclopropane SCHEMBL6955630 0.78 ADAMTS4 (0.39) GPR132ADAMTS4TERTGPR119ACACB
Cyclopentane SCHEMBL6955464 0.78 ADAMTS4 (0.39) GPR132ADAMTS4TERTGPR119ACACB
Cyclohexane SCHEMBL6955484 0.78 ADAMTS4 (0.39) GPR132ADAMTS4TERTGPR119ACACB
SCHEMBL6958313 0.77 TERT (0.38) GPR132TERTGPR84GPR119MAPT
SCHEMBL6959848 0.77 ADAMTS4 (0.40) GPR132ADAMTS4TERTMAPTACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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