SCHEMBL6591169

SCHEMBL6591169

C[C@@H](CC(N)=O)CC(=O)N(C(=O)CCC1CCCCC1)C1CCCNCC1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4832565 0.87
SCHEMBL6591163 0.80 KMT2A (0.33) KMT2A
SCHEMBL6587495 0.78 TRPM8 (0.35) KMT2A
SCHEMBL6593956 0.76 SLC6A2 (0.34)
SCHEMBL4768444 0.76
SCHEMBL6589463 0.75
SCHEMBL6591070 0.74
SCHEMBL4761934 0.74 HPGD (0.36) KMT2ANPC1RAB9A
SCHEMBL4767101 0.72 CTSD (0.37) KMT2A
SCHEMBL4763307 0.71 PSEN1 (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed