SCHEMBL8373371

SCHEMBL8373371

C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP14 P50281 1/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 3/20 0.52
RECQL P46063 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL515915 1.00 CA12 (0.54) CA12CA1MMP2MMP9MMP8
SCHEMBL515914 1.00 CA12 (0.54) CA12CA1MMP2MMP9MMP8
Water SCHEMBL4754936 0.98 CA12 (0.53) CA12CA1MMP2MMP9MMP8
Water SCHEMBL4754935 0.98 CA12 (0.53) CA12CA1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL4754929 0.98 CA12 (0.53) CA12CA1MMP2MMP9MMP8
Glycine SCHEMBL8137571 0.91 MEN1 (0.47) CA12CA1MMP2MMP9MMP8
SCHEMBL11906704 0.84 ALDH1A1 (0.44) CA12CA1MMP2MMP9MMP8
Benzoic Acid SCHEMBL11907514 0.84 KMT2A (0.49) CA12CA1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL5967288 0.83 CA12 (0.51) CA12CA1MMP2MMP9MMP8
SCHEMBL6254462 0.83 MMP9 (0.58) CA12CA1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703900-B1 PROCESS FOR THE PREPARATION OF PHENYLALANINE DERIVATIVES OR HOMOLOGUES CONTAINING A GUANIDINO OR MODIFIED GUANIDINO GROUP USEFUL FOR THE PREPARATION GnRH OF ANTAGONISTIC PEPTIDES SALK INST FOR BIOLOGICAL STUDI (US) 1999-02-24 EP disclosed
US-5710249-A Amino acids and processes for making peptides using same THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1998-01-20 US disclosed
US-5565574-A BIOSYNTHESIS OF SYNTHETIC PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-10-15 US disclosed
EP-0703900-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE DERIVATIVES OR HOMOLOGUES CONTAINING A GUANIDINO OR MODIFIED GUANIDINO GROUP USEFUL FOR THE PREPARATION GnRH OF ANTAGONISTIC PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-04-03 EP disclosed
WO-1995000474-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE DERIVATIVES OR HOMOLOGUES CONTAINING A GUANIDINO OR MODIFIED GUANIDINO GROUP USEFUL FOR THE PREPARATION GnRH OF ANTAGONISTIC PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1995-01-05 WO disclosed
US-5352796-A Chemical intermediates for gonadotropin-releasing hormone THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1994-10-04 US disclosed