SCHEMBL2562275

SCHEMBL2562275

CC(C)CCOc1ccc2cc(B(O)O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
EPHX2 P34913 1/20 0.44
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
PDK2 Q15119 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ENPP2 Q13822 1/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL29953712 0.85 TDP1 (0.59) TDP1MAPK1CA1CA2EPHX2
SCHEMBL2560860 0.84 CA1 (0.47) CA1CA2MMP2MMP13PDK2
SCHEMBL2559788 0.83 ENPP2 (0.54) TDP1MAPK1EPHX2PDK2TP53
SCHEMBL4084548 0.82 CA1 (0.48) CA1CA2
SCHEMBL10602019 0.81 TDP1 (0.58) TDP1MAPK1EPHX2MMP2MMP13
SCHEMBL2559249 0.81 CA1 (0.47) TDP1MAPK1CA1CA2SMN1; SMN2
SCHEMBL2557938 0.81 TDP1 (0.54) TDP1MAPK1CA1CA2EPHX2
SCHEMBL9986418 0.80 CA1 (0.50) TDP1MAPK1CA1CA2SMN1; SMN2
SCHEMBL29954116 0.79 NR5A1 (0.49) CA1CA2TP53
SCHEMBL24741309 0.79 TDP1 (0.51) TDP1MAPK1EPHX2MMP2MMP13

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