SCHEMBL28376124

SCHEMBL28376124

CC(C)N(C(=O)C=Cc1ccc(F)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 5/20 0.52
HPGD P15428 1/20 0.52
TNFRSF1A P19438 1/20 0.51
TP53 P04637 1/20 0.49
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
POLB P06746 1/20 0.47
TRPA1 O75762 2/20 0.46
MAOB P27338 2/20 0.46
MAPT P10636 3/20 0.45
MAOA P21397 1/20 0.45
GAA P10253 1/20 0.45
GABRA1 P14867 1/20 0.45

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
SCHEMBL28379550 0.83 LMNA (0.49) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL10316760 0.82 NPC1 (0.64) LMNAALDH1A1SMN1; SMN2TRPM8MAPT
SCHEMBL10317122 0.82 NPC1 (0.64) LMNAALDH1A1SMN1; SMN2TRPM8MAPT
SCHEMBL4900457 0.80 HSD11B1 (0.62) HSD11B1MEN1KMT2ALMNATNFRSF1A
SCHEMBL28886282 0.80 TRPM8 (0.66) LMNASMN1; SMN2TRPM8
SCHEMBL28887174 0.79 NPC1 (0.70) HSD11B1LMNATNFRSF1ATP53TRPM8
SCHEMBL10569133 0.79 HSD11B1 (0.60) HSD11B1MEN1KMT2ALMNATNFRSF1A
SCHEMBL3398978 0.77 HSD11B1 (0.58) HSD11B1MEN1KMT2ALMNATNFRSF1A
SCHEMBL3398985 0.77 HSD11B1 (0.58) HSD11B1MEN1KMT2ALMNATNFRSF1A
SCHEMBL6297840 0.77 HSD11B1 (0.62) HSD11B1MEN1KMT2ALMNAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018735-B Preparation method of cinnamamide compound 河南农业大学 2021-09-07 CN disclosed
CN-111018735-A Preparation method of cinnamamide 河南农业大学 2020-04-17 CN disclosed