SCHEMBL29951504

SCHEMBL29951504

CCOc1cc(C=O)ccc1OCC(=O)NC(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
POLB P06746 2/20 0.79
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HSD17B10 Q99714 1/20 0.53
TACR2 P21452 1/20 0.50
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL29952092 0.88 POLB (1.00) ALDH1A1POLBKMT2AKDM4ESMN1; SMN2
SCHEMBL29950552 0.88 POLB (0.90) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL2557291 0.85 ALDH1A1 (0.78) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL2551892 0.84 ALDH1A1 (0.81) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL29951968 0.83 POLB (0.73) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL2562592 0.83 ALDH1A1 (0.76) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL2558742 0.82 ALDH1A1 (0.70) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL15329731 0.82 ALDH1A1 (0.70) ALDH1A1POLBKDM4ESMN1; SMN2L3MBTL1
SCHEMBL7390751 0.81 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL30159697 0.80 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4ESMN1; SMN2L3MBTL1

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 1 patent. 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