SCHEMBL7310379

SCHEMBL7310379

CCCN1CCN(CCCCN2CC(CN3CCC(CC(=O)OCC)(C(=O)OCC)CC3)OC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KCNA3 P22001 1/20 0.33
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL7316892 0.94 ITGB3 (0.37) ITGB3ITGA2BL3MBTL1ALDH1A1MEN1
SCHEMBL8858192 0.94 ITGB3 (0.34) ITGB3ITGA2BL3MBTL1MAPK1ALDH1A1
SCHEMBL8858181 0.92 L3MBTL1 (0.34) ITGB3ITGA2BL3MBTL1MAPK1ALDH1A1
SCHEMBL7305713 0.91 ITGB3 (0.37) ITGB3ITGA2BL3MBTL1ALDH1A1MEN1
SCHEMBL7314406 0.90 ITGB3 (0.36) ITGB3ITGA2BL3MBTL1ALDH1A1MEN1
SCHEMBL7309955 0.90 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL7314498 0.90 ITGB3 (0.37) ITGB3ITGA2BL3MBTL1ALDH1A1MEN1
SCHEMBL7307187 0.89 LMNA (0.46) L3MBTL1ALDH1A1MEN1KMT2APOLB
SCHEMBL8858158 0.89 ALDH1A1 (0.34) ITGB3ITGA2BL3MBTL1ALDH1A1MEN1
SCHEMBL7316074 0.87 ALDH1A1 (0.47) L3MBTL1ALDH1A1MEN1KMT2AKDM4E

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-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed