SCHEMBL12294698

SCHEMBL12294698

N/C(=N/C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
PLAU P00749 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MIF P14174 1/20 0.45
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13521671 1.00 BACE1 (0.51) BACE1CA12CA1CA2CA9
SCHEMBL3144940 1.00 BACE1 (0.51) BACE1CA12CA1CA2CA9
SCHEMBL5097623 0.84 LMNA (0.50) CA12CA1CA2CA9LMNA
SCHEMBL6376097 0.84 PLAU (0.45) CA12CA1CA2CA9PLAU
SCHEMBL6375277 0.83 ALDH1A1 (0.50) CA12CA1CA2CA9PLAU
SCHEMBL8444209 0.82 LMNA (0.46) CA12CA1CA2CA9PLAU
SCHEMBL12295603 0.82 PLAU (0.47) BACE1CA12CA1CA2CA9
SCHEMBL8811364 0.82 LMNA (0.48) CA12CA1CA2CA9PLAU
SCHEMBL15184648 0.82 ALDH1A1 (0.53) BACE1CA12CA1CA2CA9
SCHEMBL8363864 0.82 ALDH1A1 (0.53) BACE1CA12CA1CA2CA9

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
WO-2011104649-A1 PEPTIDE ANALOGUES PFIZER LIMITED (GB) 2011-09-01 WO disclosed
US-7368605-B2 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-05-06 US disclosed
US-7368605-B2 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-05-06 US disclosed