SCHEMBL2557599

SCHEMBL2557599

Cc1cccc(OCc2cccc(B(O)O)c2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.51
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LIPE Q05469 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.45
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1B P28222 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HTR1A P08908 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
SCHEMBL2554937 0.85 MAPT (0.59) ENPP2MAPTL3MBTL1RAB9ALMNA
SCHEMBL2557515 0.84 ENPP2 (0.56) ENPP2LIPEMRGPRX4LPLLIPG
SCHEMBL2562696 0.81 ENPP2 (0.50) ENPP2RAB9ALIPEMRGPRX4LPL
SCHEMBL2556265 0.81 MRGPRX4 (0.61) ENPP2MRGPRX4LPLLIPG
SCHEMBL2557545 0.81 MRGPRX4 (0.59) ENPP2MAPTRAB9ALIPEMRGPRX4
SCHEMBL2559560 0.79 MRGPRX4 (0.63) ENPP2MRGPRX4
SCHEMBL2553887 0.78 ENPP2 (0.51) ENPP2MAPTL3MBTL1LMNALIPE
SCHEMBL2558750 0.78 MRGPRX4 (0.64) ENPP2MRGPRX4LPLLIPG
SCHEMBL2557998 0.78 NPC1 (0.59) ENPP2MAPTRAB9ALIPEMRGPRX4
SCHEMBL2880443 0.77 MAPT (0.81) MAPTL3MBTL1RAB9ALMNAMAPK1

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