SCHEMBL2555017

SCHEMBL2555017

CC(C)CCNC(=O)COc1ccccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 3/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.52
HPGD P15428 5/20 0.52
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 1/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL2560324 0.86 PTGDR2 (0.57) MAPTSMN1; SMN2HTTPTGDR2MEN1
SCHEMBL15332808 0.85 PTGDR2 (0.59) MAPTSMN1; SMN2HTTPTGDR2KMT2A
SCHEMBL7365741 0.83 PTGDR2 (0.60) MAPTSMN1; SMN2HTTPTGDR2KMT2A
SCHEMBL29950848 0.83 KMT2A (0.62) MAPTSMN1; SMN2HTTPTGDR2MEN1
SCHEMBL2552236 0.83 HPGD (0.67) MAPTSMN1; SMN2HTTPTGDR2HSD17B10
SCHEMBL2560820 0.83 NPSR1 (0.51) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL29955221 0.82 PTGDR2 (0.62) MAPTSMN1; SMN2HTTPTGDR2MEN1
SCHEMBL6369657 0.81 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTPTGDR2MEN1
SCHEMBL2562334 0.81 HPGD (0.57) MAPTSMN1; SMN2HTTPTGDR2MEN1
SCHEMBL2560342 0.80 KMT2A (0.52) MAPTSMN1; SMN2HTTMEN1KMT2A

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