SCHEMBL8668181

SCHEMBL8668181

C[C@H](CNC(=O)OCc1ccccc1)C(N)CCCC(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 3/20 0.43
CTSS P25774 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FOLH1 Q04609 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
SCHEMBL3226529 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL13569333 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL15317909 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL7411458 0.78 CTSL (0.46) SMN1; SMN2LMNAMEN1KMT2ACTSL
SCHEMBL4430842 0.77 LMNA (0.56) SMN1; SMN2NPC1RAB9ALMNASLC1A3
SCHEMBL4430839 0.77 LMNA (0.56) SMN1; SMN2NPC1RAB9ALMNASLC1A3
SCHEMBL4431806 0.77 LMNA (0.56) SMN1; SMN2NPC1RAB9ALMNASLC1A3
SCHEMBL7471592 0.76 LMNA (0.56) SMN1; SMN2LMNASLC1A3SLC1A1HTT
SCHEMBL7426643 0.76 LMNA (0.55) SMN1; SMN2LMNASLC1A3SLC1A1HTT
SCHEMBL12879321 0.76 LMNA (0.55) SMN1; SMN2LMNASLC1A3SLC1A1HTT

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
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US disclosed