SCHEMBL2553887

SCHEMBL2553887

CCc1ccccc1OCc1cccc(B(O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.51
LIPE Q05469 1/20 0.49
ABCB1 P08183 5/20 0.47
HTR1A P08908 3/20 0.47
DRD2 P14416 3/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
CFD P00746 2/20 0.45
F11 P03951 2/20 0.45
TPSB2 P20231 2/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
KLKB1 P03952 1/20 0.45
F7 P08709 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL15331178 0.84 LIPE (0.53) ENPP2LIPEABCB1HTR1ADRD2
SCHEMBL2557545 0.82 MRGPRX4 (0.59) ENPP2LIPEABCB1HTR1AMRGPRX4
SCHEMBL11919282 0.81 LMNA (0.64) ABCB1HTR1ADRD2MRGPRX4LMNA
SCHEMBL2557998 0.79 NPC1 (0.59) ENPP2LIPEMRGPRX4MAPTNPSR1
SCHEMBL20257761 0.79 SLC1A5 (0.55) ABCB1HTR1ADRD2MRGPRX4L3MBTL1
SCHEMBL25285122 0.78 MRGPRX4 (0.60) ENPP2LIPEMRGPRX4LMNAGAA
SCHEMBL29958263 0.78 MRGPRX4 (0.60) ENPP2LIPEMRGPRX4LMNAGAA
SCHEMBL2557599 0.78 ENPP2 (0.51) ENPP2LIPEHTR1AMRGPRX4LPL
SCHEMBL1894256 0.78 HTR1A (0.67) LIPEABCB1HTR1ADRD2LMNA
SCHEMBL15309966 0.78 CFD (0.61) ABCB1HTR1ADRD2MRGPRX4CFD

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