SCHEMBL9852309

SCHEMBL9852309

CSC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1CCN

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.42
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 2/20 0.36
ESR1 P03372 2/20 0.36
PDE4A P27815 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC29A1 Q99808 1/20 0.33
ABCC2 Q92887 1/20 0.30
ELANE P08246 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
SCHEMBL9852023 0.93 CACNA1C (0.41) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL9852141 0.92 CACNA1C (0.40) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL9852108 0.88 CACNA1C (0.41) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL8865146 0.86 CACNA1C (0.40) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL10440360 0.86 CACNA1C (0.42) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL10440359 0.86 CACNA1C (0.42) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL8865119 0.82 CACNA1C (0.38) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL9852269 0.82 CACNA1C (0.37) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL9852199 0.81 CACNA1C (0.40) CACNA1CKDM4ELMNAPTGS1ESR1
SCHEMBL9852286 0.81 CACNA1C (0.40) CACNA1CKDM4ELMNAPTGS1ESR1

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