SCHEMBL11186243

SCHEMBL11186243

CCOC(=O)C(C)(NC(=O)c1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
KMT2A Q03164 3/20 0.46
MMP8 P22894 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.44
PRSS1 P07477 3/20 0.44
CTSG P08311 3/20 0.44
CTRB1 P17538 3/20 0.44
CMA1 P23946 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL10683565 0.83 POLB (0.46) MAPK1KMT2APOLBMEN1ATM
SCHEMBL16097184 0.75 MAPK1 (0.51) MAPK1KMT2AMMP8POLBMEN1
SCHEMBL14724517 0.74 RAB9A (0.49) MAPK1KMT2AMMP8SMN1; SMN2NPC1
SCHEMBL7220673 0.74 SMN1; SMN2 (0.46) MAPK1KMT2APOLBMEN1PRSS1
SCHEMBL27574238 0.73 ALDH1A1 (0.57) MAPK1KMT2AMMP8POLBMEN1
SCHEMBL621763 0.72 ALDH1A1 (0.52) MAPK1KMT2APOLBMEN1ATM
SCHEMBL16097333 0.72 MAPK1 (0.51) MAPK1KMT2AMMP8POLBMEN1
SCHEMBL16097699 0.71 MAPK1 (0.50) MAPK1KMT2APOLBMEN1ATM
SCHEMBL5855427 0.71 MAPK1 (0.47) MAPK1KMT2APOLBMEN1ATM
SCHEMBL5855413 0.71 MAPK1 (0.47) MAPK1KMT2APOLBMEN1ATM

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
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed