SCHEMBL7316915

SCHEMBL7316915

CCN1CCN(CCCN2CC(COS(C)(=O)=O)OC2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR7 P34969 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
SCHEMBL7306386 0.91 MAPK1 (0.47) MAPK1L3MBTL1MEN1KMT2A
SCHEMBL7310863 0.87 MAPK1 (0.40) MAPK1L3MBTL1
SCHEMBL7305151 0.84 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7308886 0.84 MAPK1 (0.49) MAPK1L3MBTL1ALDH1A1HTR7
SCHEMBL7314450 0.82 HTR7 (0.41) MAPK1L3MBTL1HTR7
SCHEMBL7227670 0.82 CHRM2 (0.41) MAPK1L3MBTL1
SCHEMBL9230345 0.82 MAPK1 (0.49) MAPK1L3MBTL1
SCHEMBL8858104 0.82 ITGB3 (0.34) MAPK1L3MBTL1GAA
SCHEMBL7310668 0.82 MAPK1 (0.49) MAPK1L3MBTL1ALDH1A1HTR7
SCHEMBL7307020 0.81 MAPK1 (0.35) MAPK1L3MBTL1HSD17B10

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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed