SCHEMBL7316892

SCHEMBL7316892

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(CCCN3CCN(CC)CC3)C(=O)O2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
GAA P10253 1/20 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
SCHEMBL7310379 0.94 ITGB3 (0.37) ITGB3ITGA2BALDH1A1L3MBTL1MEN1
SCHEMBL8858158 0.94 ALDH1A1 (0.34) ITGB3ITGA2BALDH1A1L3MBTL1MEN1
SCHEMBL7314406 0.92 ITGB3 (0.36) ITGB3ITGA2BALDH1A1L3MBTL1MEN1
SCHEMBL7314498 0.91 ITGB3 (0.37) ITGB3ITGA2BALDH1A1L3MBTL1MEN1
SCHEMBL7309955 0.90 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL7305713 0.90 ITGB3 (0.37) ITGB3ITGA2BALDH1A1L3MBTL1MEN1
SCHEMBL7316074 0.89 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL8858192 0.89 ITGB3 (0.34) ITGB3ITGA2BALDH1A1L3MBTL1MEN1
SCHEMBL7307187 0.87 LMNA (0.46) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL8858156 0.87 HTR2B (0.33) ITGB3ITGA2BALDH1A1L3MBTL1MEN1

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