SCHEMBL2555020

SCHEMBL2555020

CNC(=O)C(C)Oc1cc(C=O)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
ALDH1A1 P00352 9/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
VCAM1 P19320 1/20 0.43
ALDH3A1 P30838 2/20 0.41
TTR P02766 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A3 P47895 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15331980 0.91 ALDH5A1 (0.48) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL29955812 0.87 SMN1; SMN2 (0.47) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL531788 0.86 ALDH1A1 (0.49) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL15330723 0.86 ALDH1A1 (0.48) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL2557048 0.85 ALDH1A1 (0.47) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL15283778 0.81 ALDH1A1 (0.50) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL29951075 0.80 SMN1; SMN2 (0.50) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL2553498 0.79 ALDH1A1 (0.58) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL15330014 0.79 ALDH1A1 (0.57) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL530182 0.79 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNASMN1; SMN2

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