SCHEMBL2561404

SCHEMBL2561404

Cc1ccc(OCc2ccc(B(O)O)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
FFAR4 Q5NUL3 6/20 0.46
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
CA2 P00918 1/20 0.46
FFAR1 O14842 3/20 0.45
ENPP2 Q13822 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
LIPE Q05469 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL2558238 0.88 ALDH1A1 (0.48) FFAR4LPLLIPGCA2FFAR1
SCHEMBL2554884 0.85 ENPP2 (0.59) MRGPRX4FFAR4LPLLIPGCA2
SCHEMBL2554749 0.85 MRGPRX4 (0.53) MRGPRX4FFAR4FFAR1ENPP2KMT2A
SCHEMBL16210297 0.85 MRGPRX4 (0.53) MRGPRX4FFAR4LPLLIPGCA2
SCHEMBL9893596 0.84 MRGPRX4 (0.54) MRGPRX4FFAR4FFAR1ENPP2L3MBTL1
SCHEMBL2556265 0.84 MRGPRX4 (0.61) MRGPRX4FFAR4LPLLIPGFFAR1
SCHEMBL6833481 0.82 ENPP2 (0.52) MRGPRX4FFAR4FFAR1ENPP2L3MBTL1
SCHEMBL2560524 0.82 ENPP2 (0.52) MRGPRX4FFAR4LPLLIPGCA2
SCHEMBL1163386 0.81 LIPE (0.57) MRGPRX4FFAR4FFAR1ENPP2L3MBTL1
SCHEMBL29954144 0.81 LIPE (0.57) MRGPRX4FFAR4FFAR1ENPP2L3MBTL1

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