SCHEMBL2554762

SCHEMBL2554762

NCCNC(=O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.43
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLRA1 P23415 1/20 0.38
SLC6A9 P48067 1/20 0.38
OR51E2 Q9H255 1/20 0.38
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
NFKB1 P19838 2/20 0.36
MAOB P27338 2/20 0.36
KMT2A Q03164 4/20 0.36
BLM P54132 3/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 2/20 0.36

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
SCHEMBL12081771 0.86 ALDH1A1 (0.43) ECE1ALDH1A1ALOX15CYP2C9HPGD
SCHEMBL27004520 0.85 PAOX (0.45) ECE1ALDH1A1ALOX15CYP1A2TSHR
SCHEMBL13971116 0.83 PAOX (0.54) ALDH1A1ALOX15CYP1A2TSHRNFKB1
SCHEMBL12036660 0.83 LDHA (0.50) ECE1LDHASRRALDH1A1TSHR
SCHEMBL9130138 0.81 PAOX (0.57) ALDH1A1ALOX15CYP1A2TSHRNFKB1
SCHEMBL766363 0.80 PHF8 (0.52) ECE1ALDH1A1ALOX15CYP1A2TSHR
SCHEMBL4760488 0.79 ALDH1A1 (0.39) ECE1ALDH1A1ALOX15CYP2C9HPGD
SCHEMBL38654455 0.78 ALDH1A1 (0.42) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL14678917 0.78
SCHEMBL152135 0.78

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