SCHEMBL29953362

SCHEMBL29953362

CN(CC=O)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
ALOX5 P09917 1/20 0.45
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.40
LIPE Q05469 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL29956306 0.83 THRA (0.44) RIPK1ALOX5HSD11B1KDM4EHTT
SCHEMBL28948440 0.82 KDM4E (0.51) RIPK1ALOX5HSD11B1KDM4EHTT
SCHEMBL29958592 0.79 KDM4E (0.49) RIPK1ALOX5HSD11B1KDM4EHTT
SCHEMBL1246921 0.78 RIPK1 (0.47) RIPK1ALOX5HSD11B1KDM4EHTT
SCHEMBL7169443 0.77 RIPK1 (0.46) RIPK1ALOX5HSD11B1KDM4EHTT
SCHEMBL10241255 0.77 RIPK1 (0.50) RIPK1ALOX5HSD11B1KDM4EHTT
SCHEMBL5931188 0.75
SCHEMBL733240 0.74
SCHEMBL12155805 0.74 THRA (0.51) RIPK1ALOX5HSD11B1KDM4EHTT
SCHEMBL16523570 0.73 TSHR (0.51) KDM4EHTTL3MBTL1GFERMAPT

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