SCHEMBL2563006

SCHEMBL2563006

O=Cc1ccccc1OCC(=O)NCc1ccco1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
HPGD P15428 7/20 0.71
KDM4E B2RXH2 3/20 0.71
POLB P06746 3/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
MAPT P10636 3/20 0.71
USP2 O75604 2/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
RAB9A P51151 4/20 0.60
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
RECQL P46063 1/20 0.56
ESR2 Q92731 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL15332860 0.83 HPGD (0.65) ALDH1A1HPGDKDM4EPOLBL3MBTL1
SCHEMBL2562836 0.82 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EPOLBL3MBTL1
SCHEMBL29956005 0.81 SMN1; SMN2 (0.66) ALDH1A1HPGDPOLBL3MBTL1MAPT
SCHEMBL12861415 0.80 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EPOLBL3MBTL1
SCHEMBL2558484 0.80 MAPK1 (0.68) ALDH1A1HPGDKDM4EPOLBL3MBTL1
SCHEMBL29955221 0.78 PTGDR2 (0.62) ALDH1A1HPGDKDM4EPOLBL3MBTL1
SCHEMBL7365741 0.77 PTGDR2 (0.60) ALDH1A1HPGDMAPTHTTSMN1; SMN2
SCHEMBL38660776 0.76 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EPOLBL3MBTL1
SCHEMBL15332808 0.76 PTGDR2 (0.59) ALDH1A1HPGDPOLBL3MBTL1MAPT
SCHEMBL2558036 0.76 PTGDR2 (0.59) ALDH1A1HPGDHTTSMN1; SMN2RAB9A

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