Cyclopentane

Cyclopentane

SCHEMBL6955464

C1CCCC1.CC(C)c1ccccc1Sc1c(O)cc(-c2ccc(OCc3cccnc3)cc2)oc1=O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.39
TERT O14746 4/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ACACB O00763 1/20 0.37
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PRKDC P78527 1/20 0.36
GPR132 Q9UNW8 2/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PTPN1 P18031 1/20 0.35
GRM2 Q14416 1/20 0.35
DHODH Q02127 1/20 0.35

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
Cyclopropane SCHEMBL6955630 1.00 ADAMTS4 (0.39) ADAMTS4TERTNPC1LMNATP53
Cyclohexane SCHEMBL6955484 1.00 ADAMTS4 (0.39) ADAMTS4TERTNPC1LMNATP53
SCHEMBL6959848 0.97 ADAMTS4 (0.40) ADAMTS4TERTNPC1LMNATP53
SCHEMBL6964866 0.90 ADAMTS4 (0.39) ADAMTS4TERTNPC1LMNATP53
SCHEMBL6960106 0.88 CYP19A1 (0.39) ADAMTS4TERTACHEMAOBPTPN1
SCHEMBL6965151 0.88 ABCB1 (0.45) ACHEMAOBPRKDCPTPN1
SCHEMBL6966218 0.86 ADAMTS4 (0.40) ADAMTS4NPC1LMNARAB9AACACB
SCHEMBL6955506 0.86 RECQL (0.36) TERTLMNATP53MAOB
SCHEMBL6955477 0.86 GPR132 (0.36) ADAMTS4TERTNPC1LMNARAB9A
SCHEMBL6966499 0.85 TERT (0.38) TERTMAPK1MAOBGPR119PRKDC

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-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