SCHEMBL15329757

SCHEMBL15329757

COc1cc([N+](=O)[O-])cc(C=O)c1OC(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.58
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KRAS P01116 2/20 0.41
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
PTGS2 P35354 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 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
SCHEMBL2838581 0.81 ERN1 (0.69) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL2555908 0.79 ERN1 (0.54) ERN1ALDH1A1KDM4EKMT2AGAA
SCHEMBL29953284 0.79 ERN1 (0.59) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL15332076 0.78 ERN1 (0.50) ERN1ALDH1A1MAPTKMT2AHTT
SCHEMBL2559632 0.78 TUBB4A (0.45) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL27773237 0.77 ERN1 (0.64) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL2557779 0.76 ALDH1A1 (0.69) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL766081 0.74 ERN1 (1.00) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL29672629 0.74 ERN1 (1.00) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL2559846 0.74 KMT2A (0.50) ALDH1A1KDM4EHSD17B10KMT2AHTT

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 3 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
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed