SCHEMBL2554401

SCHEMBL2554401

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 2/20 0.38
ERN1 O75460 2/20 0.38
HPGDS O60760 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 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
SCHEMBL2561769 0.91 ALDH1A1 (0.40) ALDH1A1TRIM24TYRTRIM33MEN1
SCHEMBL2556951 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL7418526 0.78 ALDH1A1 (0.63) ALDH1A1TRIM24TYRTRIM33MEN1
SCHEMBL29954114 0.77 PDE4B (0.51) ALDH1A1TRIM24TRIM33PDE4APDE4B
SCHEMBL29954892 0.77 ALDH1A1 (0.50) ALDH1A1TRIM24TRIM33PDE4APDE4B
SCHEMBL2557305 0.76 SRC (0.43) ALDH1A1ERN1PDE4APDE4BPDE4C
SCHEMBL2556336 0.76 NPC1 (0.36) ALDH1A1MEN1KMT2AERN1PDE4A
SCHEMBL29956283 0.74 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2555346 0.70 SRC (0.38) GAAPSEN1PSEN2APH1BNCSTN
SCHEMBL4637290 0.70 ALDH1A1 (0.51) ALDH1A1TRIM24TYRTRIM33KMT2A

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