SCHEMBL9318068

SCHEMBL9318068

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A2 P43004 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ SLC7A5 Q01650 2/20 0.42
▸ ATM Q13315 1/20 0.41
▸ ITGA4 P13612 2/20 0.41
▸ ITGB7 P26010 2/20 0.41
▸ ALPI P09923 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTSS P25774 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL11841464 0.93 SLC1A1 (0.57) SLC1A3SLC1A2SLC1A1SLC7A5ATM
SCHEMBL11387995 0.85 SLC7A5 (0.51) SLC1A3SLC1A2SLC1A1SLC7A5ATM
SCHEMBL11836304 0.83 ITGA4 (0.47) ITGA4ITGB7MEN1KMT2AMAPT
SCHEMBL7813695 0.82 SLC1A1 (0.64) SLC1A3SLC1A2SLC1A1SLC7A5ATM
SCHEMBL15268441 0.82 SLC1A1 (0.64) SLC1A3SLC1A2SLC1A1SLC7A5ATM
SCHEMBL27773551 0.82 SLC1A1 (0.64) SLC1A3SLC1A2SLC1A1SLC7A5ATM
SCHEMBL9316759 0.79 SLC1A1 (0.50) SLC1A3SLC1A2SLC1A1SLC7A5ATM
SCHEMBL9317573 0.79 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1SLC7A5ALPI
SCHEMBL9316248 0.79 SLC1A1 (0.50) SLC1A3SLC1A2SLC1A1SLC7A5ATM
SCHEMBL9841920 0.79 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1SLC7A5MEN1

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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