SCHEMBL2558975

SCHEMBL2558975

O=CC=Cc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.66
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 2/20 0.48
BACE1 P56817 1/20 0.48
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
MCL1 Q07820 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
AKR1C4 P17516 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
SCHEMBL2558972 1.00 ERN1 (0.66) ERN1ALDH1A1CYP3A4TSHRRECQL
SCHEMBL2553288 0.81 ERN1 (0.68) ERN1ALDH1A1BACE1MEN1KMT2A
SCHEMBL2559936 0.81 MAPT (0.45) ERN1ALDH1A1BACE1MEN1KMT2A
SCHEMBL2553306 0.81 ERN1 (0.68) ERN1ALDH1A1BACE1MEN1KMT2A
SCHEMBL2559938 0.81 MAPT (0.45) ERN1ALDH1A1BACE1MEN1KMT2A
SCHEMBL29382880 0.79 ERN1 (1.00) ERN1ALDH1A1CYP3A4TSHRRECQL
SCHEMBL294059 0.79 ERN1 (1.00) ERN1ALDH1A1CYP3A4TSHRRECQL
SCHEMBL30294924 0.78 ERN1 (0.96) ERN1ALDH1A1CYP3A4TSHRRECQL
SCHEMBL27998889 0.78 ERN1 (0.96) ERN1ALDH1A1CYP3A4TSHRRECQL
SCHEMBL28337241 0.78 ERN1 (0.96) ERN1ALDH1A1CYP3A4TSHRRECQL

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