SCHEMBL4553965

SCHEMBL4553965

CCOC(=O)CC1(CN)CC(C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SRC P12931 4/20 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
SCHEMBL3515386 0.91 KMT2A (0.32) KMT2AHDAC8MEN1L3MBTL1
SCHEMBL4553964 0.91 KMT2A (0.32) KMT2AHDAC8MEN1L3MBTL1
SCHEMBL3516307 0.79 SMN1; SMN2 (0.35) HSD17B10HDAC8SMN1; SMN2
SCHEMBL30722411 0.78 ADORA1 (0.37) KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL3511567 0.77 KMT2A (0.31) KMT2AHDAC8MEN1L3MBTL1
SCHEMBL18578416 0.77 HSD17B10 (0.37) HSD17B10HDAC8SMN1; SMN2
SCHEMBL25845373 0.76 HSD17B10 (0.36) HSD17B10KMT2AHDAC8MEN1SMN1; SMN2
SCHEMBL25930944 0.74 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2
SCHEMBL18591178 0.74 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2
SCHEMBL20669349 0.74 ADORA1 (0.35) KMT2AMEN1SMN1; SMN2L3MBTL1

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
EP-2134717-A2 INHIBITORS OF SERINE PROTEASES Vertex Pharmceuticals Incorporated (US) 2009-12-23 EP disclosed
WO-2008106058-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed