SCHEMBL6272255

SCHEMBL6272255

Cc1ccc(S(=O)(=O)OC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CPB2 Q96IY4 2/20 0.37
CYP24A1 Q07973 1/20 0.36
F2 P00734 2/20 0.36
NR1D1 P20393 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MMP13 P45452 2/20 0.35
STAT5B P51692 1/20 0.35
PPARG P37231 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6272258 0.88 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1CYP24A1F2
SCHEMBL3465802 0.80 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1CYP24A1F2
SCHEMBL7521777 0.79 MMP13 (0.39) KMT2AMEN1ALDH1A1CYP24A1F2
SCHEMBL27473991 0.77 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1CYP24A1NR1D1
SCHEMBL16935947 0.77 CA2 (0.43) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL27508809 0.77 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1CYP24A1NR1D1
SCHEMBL18551136 0.77 CA2 (0.43) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL27473170 0.77 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1CYP24A1NR1D1
SCHEMBL21046004 0.77 CA2 (0.43) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL11139640 0.76 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1CPB2CYP24A1

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-1596845-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF Genfit (FR) 2005-11-23 EP disclosed
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO disclosed