SCHEMBL2553005

SCHEMBL2553005

O=Cc1ccccc1OCC(=O)NCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
POLB P06746 2/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.57
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL2562688 0.82 GAA (0.47) KDM4EL3MBTL1POLBALDH1A1HPGD
SCHEMBL29955221 0.81 PTGDR2 (0.62) KDM4EL3MBTL1POLBPTGDR2ALDH1A1
SCHEMBL20249094 0.81 PTGDR2 (0.51) KDM4EL3MBTL1POLBPTGDR2ALDH1A1
SCHEMBL7365741 0.80 PTGDR2 (0.60) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL2557212 0.79 KDM4E (0.53) KDM4EL3MBTL1POLBALDH1A1HPGD
SCHEMBL15332808 0.79 PTGDR2 (0.59) L3MBTL1POLBPTGDR2ALDH1A1HPGD
SCHEMBL2558036 0.79 PTGDR2 (0.59) PTGDR2ALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL29956005 0.79 SMN1; SMN2 (0.66) L3MBTL1POLBPTGDR2ALDH1A1HPGD
SCHEMBL2109475 0.78 PTGDR2 (0.66) KDM4EPTGDR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL29951271 0.78 PTGDR2 (0.57) KDM4EL3MBTL1POLBPTGDR2ALDH1A1

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