SCHEMBL9316248

SCHEMBL9316248

CC(C)(C)OC(=O)OC(=O)C(Cc1ccccc1)C[C@H](N)C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.50
▸ SLC1A3 P43003 1/20 0.50
▸ SLC1A2 P43004 1/20 0.50
▸ SLC7A5 Q01650 2/20 0.43
▸ ANPEP P15144 1/20 0.43
▸ RNPEP Q9H4A4 1/20 0.43
▸ DNPEP Q9ULA0 1/20 0.43
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 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
SCHEMBL9316759 1.00 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP
SCHEMBL9316242 0.94 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP
SCHEMBL9316751 0.94 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP
SCHEMBL11387995 0.88 SLC7A5 (0.51) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
Glutamic Acid SCHEMBL11725715 0.86 SLC1A1 (0.51) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP
SCHEMBL11664133 0.85 SLC1A1 (0.41) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP
SCHEMBL27626877 0.83 SLC1A1 (0.66) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP
SCHEMBL8129688 0.83 SLC1A1 (0.66) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP
SCHEMBL27647034 0.82 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP
Hydrochloric Acid SCHEMBL8129682 0.82 SLC1A1 (0.64) SLC1A1SLC1A3SLC1A2SLC7A5ANPEP

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
EP-0625141-A1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY. BLACK JAMES FOUNDATION (GB) 1994-11-23 — — EP disclosed
WO-1993014066-A1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY JAMES BLACK FOUNDATION LIMITED (GB) 1993-07-22 — — WO disclosed
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