SCHEMBL9061817

SCHEMBL9061817

O=C(Cl)CC1CCCCCCCCCCCCCC1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX1 P07099 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9803788 0.98
SCHEMBL8758936 0.78 ALOX5 (0.32) EPHX1
SCHEMBL9062930 0.76
SCHEMBL20869873 0.76 CA1 (0.45)
SCHEMBL28907954 0.74 ALOX5 (0.32)
SCHEMBL6917339 0.74
SCHEMBL10608274 0.72 EPHX1 (0.50) CES2CES1KMT2ANPC1RAB9A
SCHEMBL9062594 0.72 EPHX1 (0.50) CES2CES1KMT2ANPC1RAB9A
SCHEMBL177813 0.72 EPHX1 (0.50) CES2CES1KMT2ANPC1RAB9A
SCHEMBL14606390 0.72 EPHX1 (0.50) CES2CES1KMT2ANPC1RAB9A

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
US-5550161-A COMPOUNDS WHICH CHELATE IRON AND ALUMINUM IONS; TREATMENT OF VARIOUS ANEMIAS, HEMOSIDEROSIS, ALZHEIMER*S DISEASE ORAL-D (US) 1996-08-27 US disclosed
WO-1992020227-A1 SUBSTITUTED ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE ORAL-D (US) 1992-11-26 WO disclosed
US-5047421-A Treating trivalent metal overload conditions in humans ORAL-D (US) 1991-09-10 US disclosed
US-5015664-A Orally effective ion chelators related to deferoxamine ORAL D (US) 1991-05-14 US disclosed
US-4684482-A DEFEROXAMINE DERIVATIVES ORAL-D (L.P.) (US) 1987-08-04 US disclosed
US-4671901-A DIFEROXAMINE DERIVATIVES FOR REDUCTION OF METAL ION TUSSUE OV ERLOAD ORAL-D (US) 1987-06-09 US disclosed
EP-0171414-A1 ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE. ORAL D (US) 1986-02-19 EP disclosed
WO-1985003290-A1 ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE ORAL-D (US) 1985-08-01 WO disclosed