SCHEMBL2556436

SCHEMBL2556436

COc1ccc(-c2coc(B(O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ENPP2 Q13822 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ESR2 Q92731 1/20 0.46
NR4A2 P43354 1/20 0.44
ENPP3 O14638 2/20 0.42
ABL1 P00519 2/20 0.40
ABCB1 P08183 2/20 0.40
BCR P11274 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL2553467 0.82 ENPP2 (0.49) NPC1RAB9ASMN1; SMN2ENPP2ABL1
SCHEMBL29955359 0.76 MGLL (0.45) ENPP2CA1CA2KDM4EALDH1A1
SCHEMBL3751126 0.75 NR4A2 (0.58) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL28832985 0.71 CA2 (0.86) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL257917 0.71 CA2 (0.86) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL13078468 0.71 NR4A2 (0.50) NPC1TP53MAPK1CASP3RAB9A
Methyl Alcohol SCHEMBL28098026 0.70 ESR2 (0.75) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL197522 0.69 CA1 (0.79) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL9151672 0.69 CA1 (0.79) NPC1TP53MAPK1CASP3RAB9A
SCHEMBL6733562 0.69 CA1 (0.79) NPC1TP53MAPK1CASP3RAB9A

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