SCHEMBL8861409

SCHEMBL8861409

CCC(C)OC(=O)C(N)C(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.43
▸ MAPT P10636 1/20 0.41
▸ SLC1A3 P43003 4/20 0.38
▸ SLC1A2 P43004 4/20 0.38
▸ SLC1A1 P43005 4/20 0.38
▸ USP2 O75604 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ P2RY10 O00398 2/20 0.32
▸ GPR174 Q9BXC1 2/20 0.32
▸ LAP3 P28838 2/20 0.32

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
SCHEMBL8861407 1.00 SLC7A5 (0.43) SLC7A5MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL27803439 0.83 SLC7A5 (0.41) SLC7A5MAPTLAP3
SCHEMBL22891028 0.83 SLC7A5 (0.41) SLC7A5MAPTLAP3
SCHEMBL20747649 0.83 SLC7A5 (0.41) SLC7A5MAPTLAP3
SCHEMBL17539381 0.83 SLC7A5 (0.41) SLC7A5MAPTLAP3
SCHEMBL2300123 0.83 SLC7A5 (0.41) SLC7A5MAPTLAP3
SCHEMBL2297294 0.83 SLC7A5 (0.41) SLC7A5MAPTLAP3
SCHEMBL27824244 0.83 SLC7A5 (0.41) SLC7A5MAPTLAP3
SCHEMBL22890984 0.82 DPP4 (0.42) MAPT
SCHEMBL3823055 0.82 MAPT (0.41) SLC7A5MAPTSLC1A3SLC1A2SLC1A1

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-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 — — WO claimed
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