SCHEMBL7316403

SCHEMBL7316403

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(CCN3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
PKM P14618 1/20 0.44
P4HB P07237 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8858065 0.95 LMNA (0.44) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL7316074 0.95 ALDH1A1 (0.47) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL7307187 0.95 LMNA (0.46) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL8858111 0.93 LMNA (0.41) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL8858177 0.91 ALDH1A1 (0.43) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL8858137 0.91 LMNA (0.42) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL7306280 0.91 LMNA (0.45) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL7309383 0.89 LMNA (0.47) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL7317133 0.89 LMNA (0.44) LMNAKMT2AMEN1L3MBTL1SIGMAR1
SCHEMBL7306793 0.89 LMNA (0.43) LMNAKMT2AMEN1L3MBTL1SIGMAR1

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