SCHEMBL30522452

SCHEMBL30522452

COC(=O)c1ccccc1NC(=O)CCc1ccc(OC(C)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.74
ALDH1A1 P00352 7/20 0.62
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 3/20 0.57
HCAR2 Q8TDS4 3/20 0.56
TSHR P16473 1/20 0.53
MAPK10 P53779 1/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.51
RAB9A P51151 2/20 0.51
HDAC1 Q13547 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL7108471 0.86 KDM4E (1.00) KDM4EALDH1A1KMT2AHSD17B10HCAR2
SCHEMBL28588223 0.81 KDM4E (0.56) KDM4EALDH1A1KMT2AHSD17B10CYP1A2
SCHEMBL22497429 0.81 KDM4E (0.74) KDM4EALDH1A1KMT2AHSD17B10HCAR2
SCHEMBL14227308 0.79 KDM4E (0.72) KDM4EALDH1A1KMT2AHSD17B10HCAR2
SCHEMBL27549736 0.79 HCAR2 (0.80) KDM4EALDH1A1HCAR2GAARAB9A
SCHEMBL8639802 0.79 GAA (0.66) KDM4EALDH1A1KMT2AHCAR2MAPK10
SCHEMBL14376150 0.78 KDM4E (0.63) KDM4EALDH1A1KMT2AHSD17B10HCAR2
SCHEMBL9973826 0.78 KDM4E (0.70) KDM4EALDH1A1KMT2AHSD17B10HCAR2
SCHEMBL14340800 0.76 HCAR2 (0.81) KDM4EHCAR2GAA
SCHEMBL10502377 0.75 KMT2A (1.00) KDM4EALDH1A1KMT2AHSD17B10TSHR

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
CN-112939803-B Preparation process of dihydro oat alkaloid D 郑州轻工业大学 2023-07-18 CN disclosed