SCHEMBL11859253

SCHEMBL11859253

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.55
▸ MME P08473 10/20 0.55
▸ CPA1 P15085 9/20 0.55
▸ ACE2 Q9BYF1 9/20 0.55
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ EGFR P00533 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51

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
SCHEMBL11859267 1.00 ACE (0.55) ACEMMECPA1ACE2CA1
SCHEMBL11854079 0.88 LCK (0.59) ACEMMECPA1ACE2KDM4E
SCHEMBL11853292 0.87 LCK (0.49) ACEMMECPA1ACE2CA1
SCHEMBL13925361 0.86 LCK (0.58) ACEMMECPA1ACE2CA1
SCHEMBL4261774 0.86 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL31202567 0.86 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL30411231 0.86 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL4261778 0.86 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL7685718 0.86 ACE (0.73) ACEMMECPA1ACE2FOLH1
SCHEMBL29669675 0.86 ACE (0.73) ACEMMECPA1ACE2FOLH1

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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