SCHEMBL2557686

SCHEMBL2557686

CN(C)CCS(=O)(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
LOX P28300 1/20 0.47
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GSR P00390 2/20 0.38
GAA P10253 2/20 0.38
LPL P06858 3/20 0.37
LIPG Q9Y5X9 3/20 0.37
CA2 P00918 4/20 0.37
CA1 P00915 1/20 0.37
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL299031 0.80 ENPP2 (0.57) ENPP2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL12827298 0.80 PSIP1 (0.56) LOXALDH1A1MMP8MMP13HTT
SCHEMBL18481817 0.78 ALDH1A1 (0.64) LOXALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL248212 0.77 ENPP2 (0.63) ENPP2GAALPLLIPGCA2
SCHEMBL29953691 0.77 CA2 (0.55) ENPP2THRBTHRAALDH1A1CYP3A4
SCHEMBL3571750 0.77 GAA (0.57) LOXTHRBTHRAALDH1A1CYP3A4
SCHEMBL7431114 0.77 NPSR1 (0.57) LOXTHRBTHRAALDH1A1CYP3A4
SCHEMBL3051970 0.77 PLCG1 (0.55) LOXTHRBTHRAALDH1A1CYP3A4
SCHEMBL17394071 0.76 ENPP2 (0.52) ENPP2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1962408 0.76 ENPP2 (0.52) ENPP2LOXALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed