SCHEMBL7719219

SCHEMBL7719219

O=C(O)CCCCCOc1ccc([N+](=O)[O-])c(Nc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.56
CTSL P07711 5/20 0.56
SIRT2 Q8IXJ6 3/20 0.50
FABP1 P07148 1/20 0.48
FFAR1 O14842 3/20 0.44
BACE1 P56817 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44

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
SCHEMBL2328576 0.92 CTSV (0.54) CTSVCTSLSIRT2MAPTHPGD
SCHEMBL7717769 0.89 MAPT (0.58) FABP1MAPTHPGDSIRT5
SCHEMBL7721721 0.84 HDAC1 (0.48) CTSVCTSLFABP1HDAC1MAPT
SCHEMBL2327765 0.84 MEN1 (0.49) CTSVCTSLSIRT2BACE1HDAC8
SCHEMBL5579639 0.82 CTSV (0.55) CTSVCTSLSIRT2BACE1MAPT
SCHEMBL21617259 0.81 CTSV (0.56) CTSVCTSLSIRT2FABP1FFAR1
SCHEMBL31504435 0.81 CTSV (0.56) CTSVCTSLSIRT2FABP1FFAR1
SCHEMBL2323733 0.81 MAPT (0.55) MAPTHPGD
SCHEMBL7719700 0.81 SIRT5 (0.48) MAPTHPGDSIRT5
SCHEMBL7714467 0.80 MAPT (0.56) CTSVCTSLFFAR1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed