SCHEMBL2561769

SCHEMBL2561769

COc1ccc(OC2CCCCNC2=O)c(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
PDE4B Q07343 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ERN1 O75460 1/20 0.40
NFE2L2 Q16236 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TRIM24 O15164 1/20 0.37
TYR P14679 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36

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
SCHEMBL2554401 0.91 ALDH1A1 (0.50) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL2556336 0.83 NPC1 (0.36) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL2556951 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APSEN1PSEN2
SCHEMBL29954114 0.80 PDE4B (0.51) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL29954892 0.80 ALDH1A1 (0.50) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL2557305 0.76 SRC (0.43) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL29956283 0.74 ALDH1A1 (0.43) ALDH1A1KDM4E
SCHEMBL5701841 0.71 KDM4E (0.42) ALDH1A1ERN1MEN1KMT2ARAB9A
SCHEMBL2555346 0.70 SRC (0.38) RAB9ANPC1PSEN1PSEN2APH1B
SCHEMBL6566396 0.70 HIF1A (0.50) ALDH1A1PDE4BPDE4APDE4CPDE4D

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