SCHEMBL15329929

SCHEMBL15329929

CCOC(CCOc1ccc(B(O)O)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
ENPP2 Q13822 1/20 0.43
MAPK1 P28482 1/20 0.41
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
NQO1 P15559 1/20 0.36
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL2557509 0.82 ENPP2 (0.49) ENPP2MAPK1LPLLIPGKMT2A
SCHEMBL8224347 0.81 LTA4H (0.48) CA2CA1TP53
SCHEMBL29953712 0.80 TDP1 (0.59) CA2CA1ENPP2MAPK1KMT2A
SCHEMBL8227407 0.78 NR5A1 (0.53) TP53
SCHEMBL257577 0.77 LTA4H (0.55) CA2CA1ENPP2MAPK1LPL
SCHEMBL623764 0.77 CA1 (0.57) CA2CA1ENPP2LPLLIPG
SCHEMBL9072 0.77 NQO1 (0.64) CA2CA1ENPP2LPLLIPG
SCHEMBL3630920 0.76 CA1 (0.48) CA2CA1ENPP2MAPK1LPL
SCHEMBL2557938 0.75 TDP1 (0.54) CA2CA1ENPP2MAPK1KMT2A
SCHEMBL14141616 0.75 PARP10 (0.63) CA2CA1MAPK1MEN1KMT2A

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 5 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