SCHEMBL2555516

SCHEMBL2555516

CCc1cccc(OCc2cccc(B(O)O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.59
SOD1 P00441 1/20 0.49
LPL P06858 2/20 0.49
LIPG Q9Y5X9 2/20 0.49
MAOB P27338 5/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
BCHE P06276 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2557328 0.88 LPL (0.53) ENPP2SOD1LPLLIPGMAOB
SCHEMBL2555065 0.88 ENPP2 (0.71) ENPP2LPLLIPGMAOBMRGPRX4
SCHEMBL2560615 0.85 MAOB (0.66) ENPP2MAOBMRGPRX4SMN1; SMN2
SCHEMBL16687432 0.85 ENPP2 (0.59) ENPP2LPLLIPGMAOB
SCHEMBL22874 0.85 ENPP2 (0.70) ENPP2MAOBMRGPRX4SMN1; SMN2
SCHEMBL30688670 0.84 ENPP2 (0.65) ENPP2MAOBMRGPRX4CYP4F2CYP4A11
SCHEMBL29138052 0.84 ENPP2 (0.65) ENPP2MAOBMRGPRX4CYP4F2CYP4A11
SCHEMBL692342 0.83 ENPP2 (0.67) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL31051000 0.82 NR4A2 (0.56) ENPP2MAOB
SCHEMBL15330536 0.82 NR4A2 (0.56) ENPP2MAOB

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