SCHEMBL9716685

SCHEMBL9716685

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
ADRA2C P18825 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
TYR P14679 1/20 0.36
DRD1 P21728 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ERAP2 Q6P179 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MPO P05164 1/20 0.36

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
SCHEMBL9716674 1.00 SLC7A5 (0.39) SLC7A5ADRA2CCA12CA1CA2
SCHEMBL9716611 0.95 F2 (0.40) SLC7A5ADRA2CCA12CA1CA2
SCHEMBL9716619 0.95 F2 (0.40) SLC7A5ADRA2CCA12CA1CA2
SCHEMBL9716649 0.88 ADRA2C (0.38) ADRA2CNPC1RAB9ACYP3A4HIF1A
SCHEMBL9716633 0.88 ADRA2C (0.38) ADRA2CNPC1RAB9ACYP3A4HIF1A
SCHEMBL9716684 0.88 ADRA2C (0.50) SLC7A5ADRA2CF2CPB2PKM
SCHEMBL15484293 0.88 ADRA2C (0.50) SLC7A5ADRA2CF2CPB2PKM
SCHEMBL9716679 0.88 ADRA2C (0.50) SLC7A5ADRA2CF2CPB2PKM
SCHEMBL9716737 0.87 ALDH1A1 (0.38) ADRA2CNPC1RAB9AF2CES2
SCHEMBL9716829 0.84 F2 (0.40) ADRA2CERAP2LNPEPHIF1AF2

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