SCHEMBL2553586

SCHEMBL2553586

CCNC(=O)CCOc1ccc(C=O)cc1OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
HPGD P15428 4/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.52
FDPS P14324 1/20 0.50
TACR2 P21452 1/20 0.50
GAA P10253 2/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL29954267 0.90 ALDH1A1 (0.69) ALDH1A1HPGDMAPTTDP1NPSR1
SCHEMBL29951649 0.90 ALDH1A1 (0.77) ALDH1A1HPGDMAPTL3MBTL1NPSR1
SCHEMBL2555701 0.88 ALDH1A1 (0.60) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL2551892 0.87 ALDH1A1 (0.81) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL2559441 0.85 HPGD (0.63) ALDH1A1HPGDMAPTL3MBTL1FDPS
SCHEMBL2561054 0.84 ALDH1A1 (0.64) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL2561233 0.83 ALDH1A1 (0.75) ALDH1A1HPGDMAPTTDP1L3MBTL1
SCHEMBL29954289 0.81 ALDH1A1 (0.51) ALDH1A1HPGDMAPTTDP1NPSR1
SCHEMBL29951762 0.81 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKDM4EFDPS
SCHEMBL25183280 0.80 ALDH1A1 (0.59) ALDH1A1HPGDMAPTTDP1L3MBTL1

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