SCHEMBL1028385

SCHEMBL1028385

CC(NC(=O)CO)NC(=O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.35
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MME P08473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
DPP4 P27487 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
FOLH1 Q04609 2/20 0.30
NAALAD2 Q9Y3Q0 2/20 0.30
TSHR P16473 1/20 0.30
MMP1 P03956 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
SCHEMBL638172 0.82
SCHEMBL24881405 0.78
Hydrochloric Acid SCHEMBL4655501 0.78
SCHEMBL29113532 0.78
SCHEMBL9952735 0.78 HDAC7 (0.37) MEN1KMT2AHDAC8HDAC6MME
SCHEMBL21022584 0.77 SMN1; SMN2 (0.40) FAAHKMT2AALDH1A1TSHR
SCHEMBL22735137 0.77 ALDH1A1 (0.33) MEN1FAAHMAPK1KMT2ACYP2C9
SCHEMBL7530289 0.77 CYP2C9 (0.54) ACACBMEN1FAAHMAPK1KMT2A
SCHEMBL5141953 0.76
SCHEMBL4811735 0.76 SMN1; SMN2 (0.47) MEN1FAAHKMT2AMMEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273980-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE Novartis AG (CH) 2011-01-19 EP disclosed
WO-2009121935-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2009-10-08 WO disclosed
WO-2008040763-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BISPHOSPHONATES NOVARTIS AG (CH) 2008-04-10 WO disclosed
EP-1686964-A1 MICROPARTICLES COMPRISING SOMATOSTATIN ANALOGUES Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005046645-A1 MICROPARTICLES COMPRISING SOMATOSTATIN ANALOGUES NOVARTIS AG (CH) 2005-05-26 WO disclosed