SCHEMBL6024964

SCHEMBL6024964

N[C@@H]1OC(=O)CC1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
HPGD P15428 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
F2 P00734 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2023884 1.00 ELANE (0.45) ELANEHPGDFABP7FABP5F2
SCHEMBL6024185 1.00 ELANE (0.45) ELANEHPGDFABP7FABP5F2
SCHEMBL26679383 0.83 GAA (0.50) ELANEHPGDFABP7FABP5F2
SCHEMBL8466630 0.81 ELANE (0.49) ELANEHPGDFABP7FABP5CASP1
SCHEMBL7484716 0.81 FABP7 (0.46) ELANEHPGDFABP7FABP5CASP1
SCHEMBL6250804 0.81 FABP7 (0.46) ELANEHPGDFABP7FABP5CASP1
SCHEMBL14618064 0.81 ALDH1A1 (0.50) ELANEHPGDFABP7FABP5F2
SCHEMBL18562169 0.81 ALDH1A1 (0.50) ELANEHPGDFABP7FABP5F2
SCHEMBL31711177 0.77 F2 (0.45) ELANEHPGDFABP7FABP5F2
SCHEMBL8799263 0.76 TSHR (0.44) FABP7FABP5CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed