SCHEMBL2561646

SCHEMBL2561646

CCCN(CC(=O)O)CC(=O)NC(C(C)=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL29953816 0.88 ALDH1A1 (0.36) TDP1EYA2APPACEALOX15
SCHEMBL29953207 0.82 KDM5A (0.33) TDP1KDM4ENPSR1ALDH1A1PLA2G2A
SCHEMBL29954500 0.78 KMT2A (0.36) KDM4ELMNANPSR1ALDH1A1GAA
SCHEMBL2562216 0.76 NPSR1 (0.35) NPSR1ALDH1A1
SCHEMBL6254463 0.74 TDP1 (0.68) TDP1EYA2APPACEALOX15
SCHEMBL22567745 0.72 TDP1 (0.54) TDP1EYA2APPACEALOX15
SCHEMBL29063026 0.72 TDP1 (0.65) TDP1EYA2APPACEALOX15
SCHEMBL18811744 0.72 TDP1 (0.58) TDP1EYA2APPACEALOX15
SCHEMBL18811750 0.72 TDP1 (0.58) TDP1EYA2APPACEALOX15
SCHEMBL16362007 0.71 HDAC3 (0.43) NPSR1SMN1; SMN2PLA2G2APLA2G5

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