SCHEMBL30838579

SCHEMBL30838579

CC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(C)C(=O)O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.56
SLC6A5 Q9Y345 1/20 0.56
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
NOD1 Q9Y239 2/20 0.49
PLA2G10 O15496 2/20 0.45
PLA2G2C Q5R387 1/20 0.44
DNM1 Q05193 1/20 0.44
ASAH1 Q13510 1/20 0.42
ACER2 Q5QJU3 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL30838580 1.00 FAAH (0.69) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL30838577 1.00 FAAH (0.69) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL9526860 1.00 FAAH (0.69) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL15623807 1.00 FAAH (0.69) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL9526869 1.00 FAAH (0.69) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL15602675 0.98 FAAH (0.66) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL9550539 0.98 FAAH (0.66) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL15680128 0.94 FAAH (0.63) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL14331545 0.94 FAAH (0.63) FAAHSMN1; SMN2SLC6A5MEN1MAPK1
SCHEMBL12295267 0.94 FAAH (0.63) FAAHSMN1; SMN2SLC6A5MEN1MAPK1

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-2024012565-A1 MEMANTINE DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 广州市恒诺康医药科技有限公司 2024-01-18 WO disclosed