SCHEMBL10972700

SCHEMBL10972700

O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.61
PLG P00747 4/20 0.60
MME P08473 3/20 0.59
ECE1 P42892 3/20 0.59
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ACE P12821 1/20 0.56
CA2 P00918 1/20 0.54
REN P00797 1/20 0.54
BMP1 P13497 1/20 0.54
TGM2 P21980 1/20 0.53

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
SCHEMBL3065558 0.98 PLG (0.63) NMBRPLGMMEECE1MAPT
SCHEMBL3072927 0.98 NMBR (0.63) NMBRPLGMMEECE1MAPT
SCHEMBL27738734 0.98 NMBR (0.63) NMBRPLGMMEECE1MAPT
SCHEMBL10968279 0.95 NMBR (0.68) NMBRPLGMMEECE1MAPT
SCHEMBL10899582 0.94 NMBR (0.62) NMBRPLGMMEECE1MAPT
SCHEMBL7436159 0.94 NMBR (0.62) NMBRPLGMMEECE1MAPT
SCHEMBL3036857 0.94 NMBR (0.62) NMBRPLGMMEECE1MAPT
SCHEMBL4941526 0.93 NMBR (0.59) NMBRPLGMMEECE1MAPT
SCHEMBL3049265 0.91 NMBR (0.57) NMBRPLGMMEECE1MAPT
SCHEMBL31326046 0.90 NMBR (0.74) NMBRPLGMMEECE1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4518587-A NERVOUS SYSTEM DISORDERS S.A. PANMEDICA (FR) 1985-05-21 US disclosed