SCHEMBL2557556

SCHEMBL2557556

C=CCNC(=O)C(C)Oc1ccc(OC)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.46
GAA P10253 2/20 0.43
ERN1 O75460 4/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
JUN P05412 1/20 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
SCHEMBL2561542 0.91 ALDH1A1 (0.49) RAB9AKDM4EPKMGAAERN1
SCHEMBL29953839 0.87 SMN1; SMN2 (0.53) RAB9AKDM4EERN1MTNR1AMTNR1B
SCHEMBL15330498 0.85 SMN1; SMN2 (0.54) KDM4EGAAALDH1A1HTTMAPT
SCHEMBL2559877 0.85 KDM4E (0.51) RAB9AKDM4EERN1MTNR1AALDH1A1
SCHEMBL2561388 0.84 RAB9A (0.47) RAB9AKDM4EERN1MTNR1AMTNR1B
SCHEMBL15331368 0.83 KDM4E (0.50) RAB9AKDM4EERN1ALDH1A1HTT
SCHEMBL2560950 0.82 KDM4E (0.52) RAB9AKDM4EERN1ALDH1A1HTT
SCHEMBL2558716 0.82 POLB (0.41) PKMGAAALDH1A1HTTNPSR1
SCHEMBL2222188 0.81 PKM (0.50) PKMGAAMTNR1AMTNR1BALDH1A1
SCHEMBL2555033 0.80 ALDH1A1 (0.49) ALDH1A1HTTMAPTNPSR1SMN1; SMN2

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