SCHEMBL6966499

SCHEMBL6966499

O=c1oc(-c2ccc(OCc3cccnc3)cc2)cc(O)c1Sc1ccccc1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.38
CSF1R P07333 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
PRKDC P78527 2/20 0.35
TYK2 P29597 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PTPN1 P18031 2/20 0.35
MAOB P27338 1/20 0.34
MAPT P10636 2/20 0.34
ABCB1 P08183 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 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
SCHEMBL6958313 0.99 TERT (0.38) TERTCSF1RGPR132GPR119PRKDC
SCHEMBL6960075 0.96 TERT (0.39) TERTGPR119PRKDCTYK2BRD4
SCHEMBL6955477 0.89 GPR132 (0.36) TERTCSF1RGPR132GPR119PRKDC
SCHEMBL6955460 0.88 NPC1 (0.36) TERTGPR132GPR119PRKDCTYK2
Cyclohexane SCHEMBL6955484 0.85 ADAMTS4 (0.39) TERTGPR132GPR119PRKDCBRD4
Cyclopropane SCHEMBL6955630 0.85 ADAMTS4 (0.39) TERTGPR132GPR119PRKDCBRD4
Cyclopentane SCHEMBL6955464 0.85 ADAMTS4 (0.39) TERTGPR132GPR119PRKDCBRD4
SCHEMBL6955620 0.85 NPC1 (0.37) TERTGPR132GPR119PRKDCTYK2
SCHEMBL6959848 0.83 ADAMTS4 (0.40) TERTGPR132PTPN1MAOBMAPT
SCHEMBL6963575 0.82 TERT (0.40) TERTGPR132GPR119BRD4CREBBP

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