SCHEMBL872323

SCHEMBL872323

CCCCOC(=O)N1CCC[C@H]1C(=O)N(C)c1ccc(/C=C/c2ccc(N(C)C(=O)[C@@H]3CCCN3C(=O)OCCCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACE P12821 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
PRCP P42785 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
F10 P00742 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FKBP1A P62942 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
SCHEMBL845652 0.82 PREP (0.53) L3MBTL1KDM4ELMNAF10ALDH1A1
SCHEMBL845404 0.79 PREP (0.50) STAT6L3MBTL1KDM4ELMNAF10
SCHEMBL20482408 0.79 RAB9A (0.42) L3MBTL1ACEACE2PRCPKDM4E
SCHEMBL13573736 0.75 RAB9A (0.49) L3MBTL1ACEACE2PRCPKDM4E
SCHEMBL695608 0.73 RAB9A (0.62) L3MBTL1ACEACE2MAPTKDM4E
SCHEMBL2634067 0.73 RAB9A (0.62) L3MBTL1ACEACE2MAPTKDM4E
SCHEMBL5493674 0.73 RAB9A (0.62) L3MBTL1ACEACE2MAPTKDM4E
SCHEMBL695607 0.73 FKBP1A (0.51) L3MBTL1LMNARAB9ASMN1; SMN2FKBP1A
SCHEMBL13272182 0.73 LMNA (0.49) L3MBTL1KDM4ELMNANPC1ALDH1A1
SCHEMBL20482498 0.72 L3MBTL1 (0.53) L3MBTL1ACEACE2PRCPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed