SCHEMBL8247428

SCHEMBL8247428

O=C1N[C@]2(C(=O)O)C[C@H]2/C=C\CCCCCCC(=O)N2CCC[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 12/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PSMB8 P28062 5/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TACR1 P25103 2/20 0.30
▸ PSMB5 P28074 1/20 0.30

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
SCHEMBL13435865 0.91 PSMB9 (0.32) PSMB9KDM4EALDH1A1GAAMAPT
SCHEMBL13829859 0.87 ADRB3 (0.33) KDM4EALDH1A1GAAMAPTADRB3
SCHEMBL7923887 0.86 PSMB9 (0.32) PSMB9KDM4EALDH1A1GAAMAPT
SCHEMBL11975943 0.85 ADRB3 (0.35) KDM4EALDH1A1GAAMAPTADRB3
SCHEMBL8006962 0.85 DPP4 (0.34) KDM4EALDH1A1GAAMAPTADRB3
SCHEMBL15509452 0.85 CTSB (0.41) PSMB9PSMB8
SCHEMBL7914476 0.85 CTSB (0.41) PSMB9PSMB8
SCHEMBL15509453 0.85 CTSB (0.41) PSMB9PSMB8
SCHEMBL8249221 0.85 CTSB (0.41) PSMB9PSMB8
SCHEMBL15509451 0.85 CTSB (0.41) PSMB9PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951743-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 — — EP disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 — — EP disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — WO disclosed
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