SCHEMBL2558036

SCHEMBL2558036

C=CCNC(=O)COc1ccccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 4/20 0.57
HTT P42858 4/20 0.57
GAA P10253 2/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 2/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 4/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.44
SRC P12931 1/20 0.43

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
SCHEMBL29955221 0.82 PTGDR2 (0.62) PTGDR2SMN1; SMN2RAB9AHTTHPGD
SCHEMBL2557724 0.82 SRC (0.50) SMN1; SMN2RAB9AHTTGAAGLA
SCHEMBL2559361 0.81 RAB9A (0.71) PTGDR2SMN1; SMN2RAB9AHTTGAA
SCHEMBL15331922 0.81 ALDH1A1 (0.62) PTGDR2SMN1; SMN2RAB9AHTTGAA
SCHEMBL7365741 0.81 PTGDR2 (0.60) PTGDR2SMN1; SMN2RAB9AHTTHPGD
SCHEMBL2559925 0.81 ALDH1A1 (0.48) PTGDR2SMN1; SMN2RAB9AHTTGAA
SCHEMBL29956005 0.80 SMN1; SMN2 (0.66) PTGDR2SMN1; SMN2RAB9AHTTGAA
SCHEMBL15332808 0.80 PTGDR2 (0.59) PTGDR2SMN1; SMN2RAB9AHTTHPGD
SCHEMBL2562735 0.79 PTGDR2 (0.67) PTGDR2SMN1; SMN2RAB9AHTTGAA
SCHEMBL2561319 0.79 RAB9A (0.52) SMN1; SMN2RAB9AHTTGAAGLA

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