SCHEMBL9709504

SCHEMBL9709504

CCOC(=O)CCC(CCCc1cccnc1)OCCCO

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.43
CHRNA7 P36544 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTAFR P25105 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9709571 0.81 TBXAS1 (0.67) TBXAS1
SCHEMBL10622938 0.79 TBXAS1 (0.57) TBXAS1CHRNA7ALDH1A1TDP1L3MBTL1
SCHEMBL9732456 0.78 TBXAS1 (0.47) TBXAS1CHRNA7ALDH1A1PTAFRTDP1
SCHEMBL5962751 0.78 TBXAS1 (0.64) TBXAS1CHRNA7ALDH1A1TDP1L3MBTL1
SCHEMBL30178297 0.78 TBXAS1 (0.64) TBXAS1CHRNA7ALDH1A1TDP1L3MBTL1
SCHEMBL7287637 0.77 TDP1 (0.54) TBXAS1TDP1L3MBTL1
SCHEMBL9709633 0.77 TBXAS1 (0.50) TBXAS1
SCHEMBL3957320 0.77 CYP4F2 (0.55) TBXAS1ALDH1A1TDP1L3MBTL1
SCHEMBL9733092 0.76 TBXAS1 (0.52) TBXAS1CHRNA7PTAFR
SCHEMBL9732015 0.76 TBXAS1 (0.48) TBXAS1CHRNA7ALDH1A1PTAFRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed