SCHEMBL2558808

SCHEMBL2558808

Cc1ccc(OCc2cccc(B(O)O)c2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.63
ENPP2 Q13822 4/20 0.55
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42

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
SCHEMBL2557342 0.92 MRGPRX4 (0.53) MRGPRX4ENPP2MAPTRAB9ANPC1
SCHEMBL12261269 0.89 ENPP2 (0.62) MRGPRX4ENPP2MAPTRAB9ANPC1
SCHEMBL2562696 0.86 ENPP2 (0.50) MRGPRX4ENPP2RAB9ANPC1SMN1; SMN2
SCHEMBL2556265 0.86 MRGPRX4 (0.61) MRGPRX4ENPP2
SCHEMBL2554070 0.86 MRGPRX4 (0.68) MRGPRX4ENPP2MAPTRAB9ANPC1
SCHEMBL2554884 0.85 ENPP2 (0.59) MRGPRX4ENPP2MAPTRAB9ANPC1
SCHEMBL2559206 0.84 ENPP2 (0.52) MRGPRX4ENPP2RAB9ANPC1TP53
SCHEMBL2557998 0.83 NPC1 (0.59) MRGPRX4ENPP2MAPTRAB9ANPC1
SCHEMBL11910290 0.82 MRGPRX4 (0.64) MRGPRX4KDM4EGAAEGFRERBB2
SCHEMBL18805044 0.82 MRGPRX4 (0.64) MRGPRX4KDM4EGAAEGFRERBB2

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