SCHEMBL9852063

SCHEMBL9852063

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3cccnc3)[C@H](CCCCN(C)C)[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GFER P55789 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DAO P14920 1/20 0.32
CHRNA7 P36544 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ELANE P08246 1/20 0.32
PKM P14618 1/20 0.32
TBXAS1 P24557 2/20 0.32

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
SCHEMBL9852332 0.94 LMNA (0.38) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8865296 0.90 LMNA (0.35) LMNAKDM4EALDH1A1ESR1PTGS1
SCHEMBL8865337 0.90 KDM4E (0.33) LMNAKDM4EESR1PTGS1PDE4A
SCHEMBL9852179 0.87 LMNA (0.35) LMNAKDM4EALDH1A1GFERHSD17B10
SCHEMBL9852265 0.86 RECQL (0.36) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8865797 0.86 RECQL (0.36) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9696790 0.80 ELANE (0.37) LMNAKDM4EALDH1A1GFERESR1
SCHEMBL9852407 0.80 CACNA1C (0.35) LMNAKDM4EESR1PTGS1PDE4A
SCHEMBL9852079 0.79 KDM4E (0.36) LMNAKDM4EESR1PTGS1PDE4A
SCHEMBL9852089 0.78 KDM4E (0.36) LMNAKDM4EESR1PTGS1PDE4A

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-0433759-A1 4-Substituted alkyl carbapenem antibiotics Bristol-Myers Squibb Company (US) 1991-06-26 EP disclosed