SCHEMBL4248406

SCHEMBL4248406

OCC(O)CN(CCN(CCN(CC(O)CO)CC(O)CO)CC(O)CO)CCN(CC(O)CO)CC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.32
PNP P00491 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL32670321 1.00 LMNA (0.44) LMNAALDH1A1THRBKDM4ETSHR
SCHEMBL3967264 1.00 LMNA (0.44) LMNAALDH1A1THRBKDM4ETSHR
SCHEMBL2364466 0.97 LMNA (0.47) LMNAALDH1A1THRBKDM4EPNP
SCHEMBL32670448 0.92 KDM4E (0.44) LMNAALDH1A1THRBKDM4ETSHR
SCHEMBL14441406 0.88 ALDH1A1 (0.37) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL18562075 0.88 MAPT (0.36) LMNAALDH1A1KDM4EMAPT
SCHEMBL32670353 0.88 THRB (0.40) LMNAALDH1A1THRBKDM4E
SCHEMBL6730640 0.87 LMNA (0.38) LMNAALDH1A1THRBKDM4E
SCHEMBL4844804 0.86 LMNA (0.42) LMNAALDH1A1THRBKDM4E
SCHEMBL3279037 0.86 KDM4E (0.47) LMNAALDH1A1THRBKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2011501-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use Chelator LLC (US) 2009-01-07 EP disclosed
EP-1261349-B1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CHELATOR LLC (US) 2008-09-03 EP disclosed
EP-1382332-A1 Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent Chelator LLC (US) 2004-01-21 EP disclosed
US-6583182-B1 Atomic numbers 21-30 are components of enzymes required for nucleic acid replication; substituted polyaza compounds inhibit cell replication by decreaseing bioavailability of iron or copper CHELATOR LLC 2003-06-24 US disclosed
US-6469162-B1 SUCH COMPOUNDS INHIBIT MAMMALIAN, BACTERIAL, AND FUNGAL CELL REPLICATION AND ARE USEFUL IN THE TREATMENT OF NEOPLASIA, INFECTION, INFLAMMATION, IMMUNE REPONSE, AND IN TERMINATION OF PREGNANCY CONCAT, LTD. 2002-10-22 US disclosed
US-6264966-B1 DEODORANTS; THERAPY FOR ORAL DISEASES CONCAT, LTD. 2001-07-24 US disclosed
US-6165996-A Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis CONCAT, INC. (US) 2000-12-26 US disclosed
EP-0955044-A2 Method of inhibiting bacterial or fungal growth using a complexing agent CONCAT LTD. (US) 1999-11-10 EP disclosed
US-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 US disclosed