SCHEMBL8371983

SCHEMBL8371983

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL11648038 1.00 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL8373359 1.00 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL9572048 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL10520690 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL3920080 0.85 GSK3B (0.40) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL4313273 0.85 MAPT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL10521236 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL11570078 0.82 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL9382586 0.82 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2
SCHEMBL642839 0.82 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2

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
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
EP-0550016-A1 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP disclosed