SCHEMBL9852334

SCHEMBL9852334

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCN(C)C)[C@H](CCCN)[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 2/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
CHRM1 P11229 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC29A1 Q99808 1/20 0.31

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
SCHEMBL9852199 0.91 CACNA1C (0.40) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL9852150 0.89 CACNA1C (0.39) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL8865197 0.87 CACNA1C (0.38) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL9852407 0.86 CACNA1C (0.35) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL8865046 0.86 CACNA1C (0.38) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL9852043 0.85 CACNA1C (0.37) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL9852090 0.85 CACNA1C (0.37) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL9852293 0.85 CACNA1C (0.37) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL8864714 0.84 CACNA1C (0.36) CACNA1CKDM4ELMNAESR1PTGS1
SCHEMBL9852330 0.84 CACNA1C (0.38) CACNA1CKDM4ELMNAESR1PTGS1

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