SCHEMBL28230804

SCHEMBL28230804

CCCCOC(=O)NCC(C)(C)C(N)=S

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.47
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28231754 0.87 ACHE (0.50) ACHERAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL8909168 0.80 ACHE (0.53) ACHERAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL856208 0.78 ACHE (0.50) ACHERAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL3956624 0.77 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL3947780 0.74 ACHE (0.59) ACHEEPHX1
SCHEMBL7048610 0.74 ACHE (0.50) ACHEEPHX1ALDH1A1
SCHEMBL28231760 0.73 ACHE (0.62) ACHEEPHX1
SCHEMBL1534985 0.73 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL8800666 0.73 ACHE (0.51) ACHEEPHX1ALDH1A1
SCHEMBL3395703 0.73 RAB9A (0.49) ACHERAB9ANPC1SMN1; SMN2EPHX1

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-108290878-A NOVEL FERROPORTIN INHIBITORS 威佛(国际)股份公司 2018-07-17 CN disclosed