SCHEMBL3936848

SCHEMBL3936848

CC(C)(C)OC(=O)N1CCC(O)[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.58
ACE P12821 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
MCL1 Q07820 1/20 0.50

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
SCHEMBL3936861 0.85 MCL1 (0.60) CCKBRACEMEN1KMT2AMCL1
SCHEMBL27885189 0.80 ACE (0.78) CCKBRACE
SCHEMBL27885190 0.80 ACE (0.78) CCKBRACE
SCHEMBL3825352 0.80 ACE (0.78) CCKBRACE
SCHEMBL31484559 0.80 ACE (0.78) CCKBRACE
SCHEMBL30638855 0.80 ACE (0.78) CCKBRACE
SCHEMBL27885198 0.80 ITGB2 (0.61) ACEMEN1KMT2AITGB2ICAM1
SCHEMBL27885201 0.80 ITGB2 (0.61) ACEMEN1KMT2AITGB2ICAM1
SCHEMBL31606500 0.80 ITGB2 (0.62) ACEMEN1KMT2AITGB2ICAM1
SCHEMBL31606480 0.79 MCL1 (0.53) CCKBRMEN1KMT2AITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009009035-A1 SOMATOSTATIN ANALOG AND USES THEREOF IPSEN PHARMA S.A.S. (FR) 2009-01-15 WO disclosed