SCHEMBL2556560

SCHEMBL2556560

COc1cccc(OCc2ccccc2B(O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
APP P05067 1/20 0.49
ENPP2 Q13822 1/20 0.49
LMNA P02545 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ABCB1 P08183 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
HTR1A P08908 1/20 0.43
DRD2 P14416 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
SCHEMBL15332971 0.85 LIPG (0.46) MAOBAPPENPP2SMN1; SMN2NPC1
SCHEMBL1260133 0.83 LIPG (0.50) MAOBLMNASMN1; SMN2ALDH1A1HTR1A
SCHEMBL2558594 0.83 ENPP2 (0.54) MAOBENPP2LMNAMAPK1SMN1; SMN2
SCHEMBL15332525 0.82 SOD1 (0.48) MAOBENPP2TSHRMAPK1SMN1; SMN2
SCHEMBL2560802 0.80 MCL1 (0.51) MAOBLMNAMRGPRX4
SCHEMBL2558709 0.78 ESR1 (0.48) MAOBMAPK1TP53SMN1; SMN2NPC1
SCHEMBL2561446 0.78 LIPG (0.41) MAOBENPP2LMNATSHRSMN1; SMN2
SCHEMBL791586 0.78 MAOB (0.60) MAOBAPPABCB1NPC1RAB9A
SCHEMBL2556096 0.77 PARP10 (0.46) MAOBNPC1RAB9A
SCHEMBL2557948 0.77 MRGPRX4 (0.45) MAOBENPP2LMNAMRGPRX4NPC1

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 5 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
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