SCHEMBL9062912

SCHEMBL9062912

CCCCCCCCC(C(=O)Cl)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
CETP P11597 1/20 0.45
EPHX1 P07099 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
UGT2B7 P16662 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
LTB4R Q15722 2/20 0.40
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
ACE P12821 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL19612759 0.94 UGT2B7 (0.44) HDAC1HDAC8CETPEPHX1NPC1
SCHEMBL11319751 0.87 AKR1C3 (0.50) HDAC1HDAC8CETPEPHX1NPC1
SCHEMBL2545036 0.87 AKR1C3 (0.50) HDAC1HDAC8CETPEPHX1NPC1
SCHEMBL2536993 0.87 AKR1C3 (0.50) HDAC1HDAC8CETPEPHX1NPC1
SCHEMBL11316020 0.87 AKR1C3 (0.50) HDAC1HDAC8CETPEPHX1NPC1
SCHEMBL11321098 0.86 AKR1C3 (0.51) HDAC1HDAC8CETPEPHX1NPC1
SCHEMBL7432230 0.82 ASAH1 (0.48) NPC1RAB9ASMN1; SMN2MMP1CNR2
SCHEMBL19612571 0.82 ASAH1 (0.48) NPC1RAB9ASMN1; SMN2MMP1CNR2
SCHEMBL7799567 0.81 AKR1C3 (0.52) HDAC1HDAC8NPC1LMNARAB9A
SCHEMBL19612637 0.81 ASAH1 (0.46) NPC1LMNARAB9ASMN1; SMN2CNR2

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