SCHEMBL2561979

SCHEMBL2561979

Cc1cccc(-c2coc(B(O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.44
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 3/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
PTPN5 P54829 1/20 0.36
ABCB1 P08183 1/20 0.36
DHODH Q02127 1/20 0.36
SLC5A2 P31639 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL2555163 0.80 CA2 (0.40) ENPP3ACHEALDH1A1
SCHEMBL29955359 0.80 MGLL (0.45) MGLLALDH1A1
SCHEMBL2553467 0.79 ENPP2 (0.49) RAB9ANPC1HPGDSMN1; SMN2ABCB1
SCHEMBL12266900 0.76 ENPP3 (0.50) ENPP3RAB9ANPC1HPGDTSHR
SCHEMBL2559506 0.72 ENPP3 (0.39) ENPP3RAB9ANPC1HPGDTSHR
SCHEMBL17899782 0.72 MGLL (0.67) ACHEPTPN5MGLLALDH1A1
SCHEMBL29373699 0.72 ACHE (0.69) ENPP3RAB9ANPC1HPGDTSHR
SCHEMBL31471473 0.72 ACHE (0.69) ENPP3RAB9ANPC1HPGDTSHR
SCHEMBL301247 0.72 ACHE (0.69) ENPP3RAB9ANPC1HPGDTSHR
SCHEMBL4452165 0.71

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