SCHEMBL11204337

SCHEMBL11204337

NC(=O)C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
MAPT P10636 3/20 0.74
KDM4E B2RXH2 2/20 0.74
MME P08473 5/20 0.43
KDM4A O75164 1/20 0.43
DNMT1 P26358 1/20 0.41
GNPAT O15228 1/20 0.41
ACE P12821 3/20 0.40
CPA1 P15085 3/20 0.40
ACE2 Q9BYF1 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
MAPK1 P28482 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL7311462 0.86 MAPT (1.00) ALDH1A1MAPTKDM4EDNMT1MEN1
SCHEMBL7311455 0.86 MAPT (1.00) ALDH1A1MAPTKDM4EDNMT1MEN1
SCHEMBL1158294 0.85 MAPT (0.71) ALDH1A1MAPTKDM4EKDM4ADNMT1
SCHEMBL1158293 0.85 MAPT (0.71) ALDH1A1MAPTKDM4EKDM4ADNMT1
SCHEMBL10431037 0.79 MAPT (0.65) ALDH1A1MAPTKDM4EMMEKDM4A
SCHEMBL10431038 0.79 MAPT (0.65) ALDH1A1MAPTKDM4EMMEKDM4A
SCHEMBL7312481 0.77 MAPT (0.78) ALDH1A1MAPTKDM4EDNMT1MEN1
SCHEMBL7312478 0.77 MAPT (0.78) ALDH1A1MAPTKDM4EDNMT1MEN1
SCHEMBL11226801 0.77 MAPT (0.78) ALDH1A1MAPTKDM4EDNMT1MEN1
SCHEMBL7540298 0.77 MAPT (0.81) ALDH1A1MAPTKDM4EDNMT1MEN1

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-0017536-B1 PROCESS FOR THE PREPARATION OF SOMATOSTATINE SANOFI S.A. (FR) 1983-03-23 EP disclosed
US-4337194-A MULTISTEP, WITH PURIFICATION BY WASHING AFTER EACH COUPLING C. M. INDUSTRIES (FR) 1982-06-29 US disclosed
EP-0017536-A2 Process for the preparation of somatostatine SANOFI S.A. (FR) 1980-10-15 EP disclosed