SCHEMBL9852332

SCHEMBL9852332

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.34
GFER P55789 3/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNA7 P36544 1/20 0.34
DAO P14920 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ESR1 P03372 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
TBXAS1 P24557 2/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
MDM2 Q00987 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
SCHEMBL9852063 0.94 LMNA (0.38) LMNAALDH1A1GFERHSD17B10CHRNA7
SCHEMBL8865797 0.90 RECQL (0.36) LMNAALDH1A1GFERHSD17B10DAO
SCHEMBL9852265 0.90 RECQL (0.36) LMNAALDH1A1GFERHSD17B10DAO
SCHEMBL9852179 0.90 LMNA (0.35) LMNAALDH1A1GFERHSD17B10DAO
SCHEMBL8865296 0.87 LMNA (0.35) LMNAALDH1A1DAOCCNE2CCNE1
SCHEMBL8865337 0.83 KDM4E (0.33) LMNAESR1PTGS1PDE4AELANE
SCHEMBL9852153 0.83 ESR1 (0.34) LMNAALDH1A1ESR1PTGS1PDE4A
SCHEMBL9852188 0.82 ELANE (0.37) ESR1PTGS1PDE4AELANEMEN1
SCHEMBL9696790 0.82 ELANE (0.37) LMNAALDH1A1GFERDAOCCNE2
SCHEMBL8864875 0.78 KDM4E (0.38) LMNAESR1PTGS1PDE4AELANE

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 claimed