SCHEMBL2557744

SCHEMBL2557744

COCCOc1ccc(C)cc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 10/20 0.45
MAPT P10636 9/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 2/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40

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
SCHEMBL2703903 0.84 ACHE (0.39) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL29951021 0.84 ACHE (0.39) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL3317396 0.84 MAPT (0.48) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL15331983 0.83 L3MBTL1 (0.41) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL3318133 0.83 KDM4E (0.45) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL2554699 0.81 USP2 (0.38) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL29956845 0.81 MAPT (0.50) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL1490739 0.80 MAPT (0.45) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL29956763 0.80 MAPT (0.45) L3MBTL1MAPTALDH1A1HPGDMEN1
SCHEMBL2560817 0.80 CYP1A2 (0.53) ALDH1A1MAPK1CYP2C19KDM4EGAA

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