SCHEMBL7993210

SCHEMBL7993210

CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1Cl)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.43
TPSD1 Q9BZJ3 2/20 0.43
TPSG1 Q9NRR2 2/20 0.43
EPOR P19235 2/20 0.38
SLC1A5 Q15758 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL8297502 1.00 TPSAB1 (0.43) TPSAB1TPSD1TPSG1EPORSLC1A5
SCHEMBL29280233 1.00 TPSAB1 (0.43) TPSAB1TPSD1TPSG1EPORSLC1A5
SCHEMBL9614674 0.89 TPSAB1 (0.40) TPSAB1TPSD1TPSG1L3MBTL1CYP1A2
SCHEMBL9614672 0.89 TPSAB1 (0.40) TPSAB1TPSD1TPSG1L3MBTL1CYP1A2
SCHEMBL3820596 0.87 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL375887 0.87 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL4150947 0.87 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL18132341 0.85 TPSAB1 (0.40) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL1021829 0.84 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL28480221 0.84 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773950-A4 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2000-05-17 EP disclosed
US-5942600-A COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL G. D. SEARLE & CO. (US) 1999-08-24 US disclosed
EP-0646596-B1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1999-05-26 EP disclosed
US-5849893-A Nucleic acid-binding oligomers possessing C-branching for therapy and diagnostics BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
EP-0646596-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed
EP-0011366-A2 Synthetic peptides, their preparation, pharmaceutical formulations containing them and intermediates for their preparation ELI LILLY AND COMPANY (US) 1980-05-28 EP disclosed