SCHEMBL9716730

SCHEMBL9716730

NCCC[C@@H](NC(=O)c1ccc(O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.55
LNPEP Q9UIQ6 2/20 0.55
CA2 P00918 11/20 0.54
CA1 P00915 5/20 0.53
HPGDS O60760 1/20 0.53
DHFR P00374 2/20 0.50
FPGS Q05932 2/20 0.50
C3AR1 Q16581 1/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
GRIA1 P42261 1/20 0.48
ERAP1 Q9NZ08 1/20 0.47
FOLH1 Q04609 1/20 0.47
MPO P05164 1/20 0.47
CYP3A4 P08684 1/20 0.47
KDM5A P29375 1/20 0.47
BLM P54132 1/20 0.47
GFER P55789 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL9716717 1.00 ERAP2 (0.55) ERAP2LNPEPCA2CA1HPGDS
SCHEMBL9716722 1.00 ERAP2 (0.55) ERAP2LNPEPCA2CA1HPGDS
SCHEMBL7034241 0.95 LNPEP (0.60) ERAP2LNPEPCA2CA1HPGDS
SCHEMBL7034236 0.95 LNPEP (0.60) ERAP2LNPEPCA2CA1HPGDS
SCHEMBL9716809 0.88 CA2 (0.54) ERAP2LNPEPCA2CA1DHFR
SCHEMBL9716814 0.88 CA2 (0.54) ERAP2LNPEPCA2CA1DHFR
SCHEMBL9716816 0.88 CA2 (0.54) ERAP2LNPEPCA2CA1DHFR
SCHEMBL1980652 0.88 ITGB3 (0.57) ERAP2LNPEPCA2CA1HPGDS
SCHEMBL1980150 0.88 ITGB3 (0.57) ERAP2LNPEPCA2CA1HPGDS
SCHEMBL8847374 0.88 ITGB3 (0.57) ERAP2LNPEPCA2CA1HPGDS

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed