SCHEMBL9852265

SCHEMBL9852265

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
LMNA P02545 2/20 0.34
GFER P55789 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
TSHR P16473 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
DAO P14920 1/20 0.31
ELANE P08246 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TBXAS1 P24557 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8865797 1.00 RECQL (0.36) RECQLLMNAGFERALDH1A1HSD17B10
SCHEMBL9852332 0.90 LMNA (0.38) LMNAGFERALDH1A1HSD17B10ESR1
SCHEMBL9852063 0.86 LMNA (0.38) LMNAGFERALDH1A1HSD17B10ESR1
SCHEMBL9852179 0.84 LMNA (0.35) LMNAGFERALDH1A1HSD17B10ESR1
SCHEMBL8865296 0.82 LMNA (0.35) LMNAALDH1A1ESR1PTGS1PDE4A
SCHEMBL9852188 0.81 ELANE (0.37) ESR1PTGS1PDE4AELANEMEN1
SCHEMBL9696790 0.77 ELANE (0.37) LMNAGFERALDH1A1ESR1PTGS1
SCHEMBL8865337 0.76 KDM4E (0.33) LMNAESR1PTGS1PDE4AELANE
SCHEMBL8864875 0.74 KDM4E (0.38) LMNAESR1PTGS1PDE4AELANE
SCHEMBL9852153 0.74 ESR1 (0.34) LMNAALDH1A1ESR1PTGS1PDE4A

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