SCHEMBL11858061

SCHEMBL11858061

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 11/20 0.48
▸ MME P08473 8/20 0.48
▸ CPA1 P15085 7/20 0.48
▸ ACE2 Q9BYF1 7/20 0.48
▸ POLB P06746 1/20 0.46
▸ TACR1 P25103 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ ANPEP P15144 1/20 0.45
▸ TYR P14679 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ CA1 P00915 1/20 0.43

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
SCHEMBL11853292 0.88 LCK (0.49) ACEMMECPA1ACE2POLB
SCHEMBL11854079 0.87 LCK (0.59) ACEMMECPA1ACE2POLB
SCHEMBL11855613 0.85 LCK (0.52) ACEMMEPOLBTACR1LCK
SCHEMBL11859267 0.85 ACE (0.55) ACEMMECPA1ACE2POLB
SCHEMBL11859253 0.85 ACE (0.55) ACEMMECPA1ACE2POLB
SCHEMBL11859692 0.84 ERAP2 (0.49) MMEPOLBTACR1LCKANPEP
SCHEMBL1270964 0.84 ACE (0.45) ACEMMECPA1ACE2POLB
SCHEMBL11861185 0.84 YARS1 (0.53) ACEMMEPOLBTACR1LCK
SCHEMBL11857396 0.84 YARS1 (0.53) ACEMMEPOLBTACR1LCK
SCHEMBL11852922 0.82 ERAP2 (0.49) MMELCKEGFR

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-3939253-A Novel, transient pro-drug forms of l-dopa useful in the treatment of parkinson's disease INTERX RESEARCH CORPORATION (US) 1976-02-17 — — US disclosed
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