SCHEMBL8864875

SCHEMBL8864875

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3ccncc3)[C@H](CCN)[C@H]12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CACNA1C Q13936 1/20 0.36
ESR1 P03372 2/20 0.34
PTGS1 P23219 2/20 0.34
PDE4A P27815 1/20 0.34
ELANE P08246 1/20 0.33
CHRM1 P11229 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC29A1 Q99808 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9852089 0.94 KDM4E (0.36) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL9852079 0.94 KDM4E (0.36) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL9852179 0.89 LMNA (0.35) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL8865337 0.86 KDM4E (0.33) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL9852072 0.86 CACNA1C (0.34) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL9852132 0.84 CACNA1C (0.35) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL8865296 0.83 LMNA (0.35) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL9852108 0.82 CACNA1C (0.41) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL9852381 0.82 CACNA1C (0.35) KDM4ELMNACACNA1CESR1PTGS1
SCHEMBL8865427 0.81 CACNA1C (0.35) KDM4ELMNACACNA1CESR1PTGS1

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 3 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
US-5672701-A 4-substituted alkyl carbapenem antibiotics BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-30 US disclosed
EP-0433759-A1 4-Substituted alkyl carbapenem antibiotics Bristol-Myers Squibb Company (US) 1991-06-26 EP disclosed