SCHEMBL29954367

SCHEMBL29954367

COc1ccc(C(C)=O)cc1CN(C)CCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
HPGD P15428 2/20 0.61
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
ADRB2 P07550 1/20 0.47
MAOB P27338 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
SCHEMBL29956378 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL3684732 0.81 ALDH1A1 (0.97) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL7093110 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL29956047 0.78 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL29951914 0.78 HPGD (0.61) ALDH1A1KMT2AMEN1HPGDL3MBTL1
SCHEMBL29951426 0.78 HPGD (0.60) ALDH1A1KMT2AMEN1HPGDL3MBTL1
SCHEMBL29951085 0.76 HPGD (0.58) ALDH1A1KMT2AMEN1HPGDL3MBTL1
SCHEMBL6342125 0.76 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL29956382 0.76 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL29958248 0.76 HPGD (1.00) ALDH1A1KMT2AMEN1HPGDHTT

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