SCHEMBL1056862

SCHEMBL1056862

N[C@@H](CCC(=O)OC(=O)c1ccc(N(CCCl)CCCl)cc1)C(=O)OC(=O)c1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HIF1A Q16665 3/20 0.46
LMNA P02545 3/20 0.46
ALOX15 P16050 2/20 0.46
NFKB1 P19838 2/20 0.46
THPO P40225 2/20 0.46
MAPT P10636 2/20 0.46
PMP22 Q01453 2/20 0.46
KMT2A Q03164 2/20 0.46
ABCB11 O95342 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
ACHE P22303 1/20 0.46
PTGS1 P23219 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL16240875 0.89 ALDH1A1 (0.38) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL5078447 0.79 LMNA (0.46) CYP3A4ALDH1A1LMNAMAPTKMT2A
SCHEMBL1232253 0.79 LMNA (0.46) CYP3A4ALDH1A1LMNAMAPTKMT2A
SCHEMBL28889391 0.79 LMNA (0.46) CYP3A4ALDH1A1LMNAMAPTKMT2A
SCHEMBL5084405 0.77 ALDH1A1 (0.44) ALDH1A1HIF1ALMNAMAPTKMT2A
SCHEMBL5084403 0.77 ALDH1A1 (0.44) ALDH1A1HIF1ALMNAMAPTKMT2A
SCHEMBL28239003 0.77 SLC1A5 (0.35) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
Hydrochloric Acid SCHEMBL31375791 0.76 ALDH1A1 (0.42) ALDH1A1HIF1ALMNAMAPTKMT2A
SCHEMBL28374594 0.76 ALDH1A1 (0.42) ALDH1A1HIF1ALMNAMAPTKMT2A
SCHEMBL28709734 0.74 PKM (0.37) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415731-B1 Novel entities for cancer therapy WELLCOME FOUND (GB) 2003-04-02 EP claimed
EP-0690129-A1 Novel entities for cancer therapy THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-03 EP claimed
EP-0657541-A1 Novel entities for cancer therapy THE WELLCOME FOUNDATION LIMITED (GB) 1995-06-14 EP claimed
EP-0657539-A1 Novel entities for cancer therapy THE WELLCOME FOUNDATION LIMITED (GB) 1995-06-14 EP claimed
EP-0657540-A1 Novel entities for cancer therapy THE WELLCOME FOUNDATION LIMITED (GB) 1995-06-14 EP claimed
US-11214815-B2 Nucleic acid Construct IP2IPO INNOVATIONS LIMITED (GB) 2022-01-04 US disclosed
US-10258676-B2 Polypeptide vaccine AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-04-16 US disclosed
US-20150306196-A1 POLYPEPTIDE VACCINE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-10-29 US disclosed
US-20150232878-A1 Construct IP2IPO INNOVATIONS LIMITED (GB) 2015-08-20 US disclosed
US-7977091-B2 Eukaryotic layered vector initiation systems NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2011-07-12 US disclosed
US-20110052577-A1 Antibodies OXFORD BIOMEDICA (UK) LIMITED (GB) 2011-03-03 US disclosed
US-7875259-B2 Generating prion specific immunoglobulin for use in diagnosis, prevention and treatment of neurodegenerative disorders D-GEN LIMITED (GB) 2011-01-25 US disclosed
EP-0792366-A1 ENZYME GENE THERAPY CATALYSING PRODRUG EXTRACELLULAR CONVERSION THE WELLCOME FOUNDATION LIMITED (GB) 1997-09-03 EP disclosed
EP-0512002-B1 CELL-SPECIFIC ENZYME-CONJUGATES FOR THE RELEASE OF TOXIC CYANIDE FROM CYANOGENIC PRODRUGS AT TARGET CELLS IMP CANCER RES TECH (GB) 1996-08-21 EP disclosed
WO-1996016179-A1 ENZYME GENE THERAPY CATALYSING PRODRUG EXTRACELLULAR CONVERSION THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 WO disclosed
EP-0679094-A1 COMPOUNDS FOR TARGETING IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1995-11-02 EP disclosed
WO-1994015644-A1 COMPOUNDS FOR TARGETING IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1994-07-21 WO disclosed
EP-0408546-B1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RES CAMPAIGN TECH (GB) 1994-04-27 EP disclosed
EP-0408546-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS. CANCER RES CAMPAIGN TECH (GB) 1991-01-23 EP disclosed
WO-1988007378-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1988-10-06 WO disclosed