SCHEMBL29955849

SCHEMBL29955849

COc1ccc(C(C)=O)cc1CNC(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.47
ADRB2 P07550 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL29953750 0.87 CREBBP (0.55) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL30708201 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL8644052 0.79 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL29951426 0.78 HPGD (0.60) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL29952081 0.77 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL24939470 0.76 MEN1 (0.55) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL29179662 0.76 MEN1 (0.55) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL6342125 0.76 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL29951914 0.76 HPGD (0.61) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL29956047 0.76 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AHPGDKDM4E

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