SCHEMBL9830416

SCHEMBL9830416

[CH2]C(=N)N1CCC(OC(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 8/20 0.38
TPSD1 Q9BZJ3 8/20 0.38
TPSG1 Q9NRR2 8/20 0.38
ATM Q13315 1/20 0.38
F2 P00734 4/20 0.33
PRSS1 P07477 4/20 0.33
PLG P00747 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
GAA P10253 1/20 0.32
PARP10 Q53GL7 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
SCHEMBL9831197 0.89 ATM (0.40) TPSAB1TPSD1TPSG1ATMF2
SCHEMBL28521242 0.80 ATM (0.42) TPSAB1TPSD1TPSG1ATMF2
SCHEMBL9829905 0.80 TPSAB1 (0.38) TPSAB1TPSD1TPSG1ATMF2
SCHEMBL29107128 0.78 TEAD1 (0.41) TPSAB1TPSD1TPSG1ATM
SCHEMBL7295825 0.77 ATM (0.44) ATMGAA
Hydrochloric Acid SCHEMBL9835606 0.76 CPN1 (0.39) TPSAB1TPSD1TPSG1ATMF2
Hydrochloric Acid SCHEMBL9833904 0.76 TPSAB1 (0.38) TPSAB1TPSD1TPSG1ATMF2
SCHEMBL28669901 0.76 HPGD (0.50) ATM
SCHEMBL28883716 0.74 ATM (0.42) TPSAB1TPSD1TPSG1ATMGAA
SCHEMBL29144075 0.74 TPSAB1 (0.44) TPSAB1TPSD1TPSG1ATMF2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed