SCHEMBL2557545

SCHEMBL2557545

COc1ccccc1OCc1cccc(B(O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.59
ENPP2 Q13822 5/20 0.56
LIPE Q05469 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APP P05067 1/20 0.50
HTR1A P08908 3/20 0.49
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
RXRA P19793 1/20 0.49
ABCB1 P08183 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL9615215 0.84 MRGPRX4 (0.69) MRGPRX4NPC1RAB9ASMN1; SMN2APP
SCHEMBL15329891 0.83 APP (0.63) MRGPRX4ENPP2LIPENPC1RAB9A
SCHEMBL2553887 0.82 ENPP2 (0.51) MRGPRX4ENPP2LIPEHTR1AABCB1
SCHEMBL4329673 0.82 SMPD1 (0.56) MRGPRX4ENPP2LIPENPC1RAB9A
SCHEMBL906202 0.82 NPC1 (0.57) ENPP2LIPENPC1RAB9ASMN1; SMN2
SCHEMBL2557998 0.82 NPC1 (0.59) MRGPRX4ENPP2LIPENPC1RAB9A
SCHEMBL29956215 0.82 NPC1 (0.57) ENPP2LIPENPC1RAB9ASMN1; SMN2
SCHEMBL15331009 0.81 ENPP2 (0.74) MRGPRX4ENPP2NPC1RAB9ASMN1; SMN2
SCHEMBL25285122 0.81 MRGPRX4 (0.60) MRGPRX4ENPP2LIPENPC1RAB9A
SCHEMBL29958263 0.81 MRGPRX4 (0.60) MRGPRX4ENPP2LIPENPC1RAB9A

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