SCHEMBL28397907

SCHEMBL28397907

CCOC(=O)Cc1ccc(NC(=O)C(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
PPID Q08752 1/20 0.49
KLK7 P49862 1/20 0.49
CYP4Z1 Q86W10 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47

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
SCHEMBL7422953 0.87 MAPT (0.61) MAPTLMNASMN1; SMN2MEN1HTT
SCHEMBL8474460 0.87 MAPT (0.60) MAPTLMNASMN1; SMN2MEN1HTT
SCHEMBL20179117 0.86 MAPT (0.60) MAPTLMNASMN1; SMN2MEN1HTT
SCHEMBL10685516 0.83 PPID (0.63) MAPTLMNASMN1; SMN2MEN1HTT
SCHEMBL15709727 0.82 LMNA (0.62) MAPTLMNASMN1; SMN2MEN1HTT
SCHEMBL14450265 0.81 MAPT (0.60) MAPTLMNASMN1; SMN2MEN1HTT
SCHEMBL9181995 0.81 SMN1; SMN2 (0.79) MAPTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL68851 0.80 CYP4Z1 (0.62) MAPTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL2636023 0.79 MAPT (0.60) MAPTLMNASMN1; SMN2MEN1HTT
SCHEMBL10686887 0.79 MAPT (0.58) MAPTLMNASMN1; SMN2MEN1HTT

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-111171067-A Preparation method of indole or aniline borate 南京大学 2020-05-19 CN disclosed