SCHEMBL23520162

SCHEMBL23520162

C/C=c1/c(CC)cc(=O)o/c1=C/C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.41
FFAR3 O14843 1/20 0.39
HSD17B3 P37058 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
SCHEMBL19175755 0.76 HCAR2 (0.38) HCAR2FFAR3HSD17B3ALDH1A1KDM4E
SCHEMBL11861985 0.63 KDM4E (0.58) HCAR2FFAR3HSD17B3ALDH1A1KDM4E
SCHEMBL12189091 0.61 ALDH1A1 (0.44) HCAR2FFAR3HSD17B3ALDH1A1KDM4E
SCHEMBL16215108 0.60 CTRC (0.34) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL21187026 0.59 KDM4E (0.42) ALDH1A1KDM4ELMNA
SCHEMBL3205225 0.59 GRIN2D (0.50) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21973429 0.58
SCHEMBL12602089 0.58 HCAR2 (1.00) HCAR2FFAR3
SCHEMBL8372531 0.58 HSD17B3 (0.62) HSD17B3ALDH1A1KDM4EGAAHTT
SCHEMBL15842559 0.58 ALDH1A1 (0.51) HCAR2FFAR3HSD17B3ALDH1A1KDM4E

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
WO-2021117680-A1 BIOLOGICAL SUBSTANCE IMMOBILIZATION MATERIAL 国立大学法人 東京大学 2021-06-17 WO disclosed