SCHEMBL7306280

SCHEMBL7306280

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(CCC3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 4/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7317133 0.95 LMNA (0.44) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL7306793 0.95 LMNA (0.43) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL8858157 0.93 MEN1 (0.42) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL7309383 0.93 LMNA (0.47) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL8858126 0.92 LMNA (0.41) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL8858139 0.91 LMNA (0.40) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL7316403 0.91 LMNA (0.47) LMNAMEN1KMT2AL3MBTL1SIGMAR1
SCHEMBL7307187 0.89 LMNA (0.46) LMNAMEN1KMT2AL3MBTL1SIGMAR1
SCHEMBL7316074 0.89 ALDH1A1 (0.47) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL8858206 0.89 MEN1 (0.42) LMNAMEN1KMT2AL3MBTL1KDM4E

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