SCHEMBL9364481

SCHEMBL9364481

C#COC(=O)NC(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.37
MME P08473 2/20 0.35
RAB9A P51151 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL444915 0.75 MME (0.41) TYRMMERAB9AACECPA1
SCHEMBL194101 0.75 MME (0.41) TYRMMERAB9AACECPA1
SCHEMBL194100 0.75 MME (0.41) TYRMMERAB9AACECPA1
SCHEMBL27133280 0.73 TYR (0.42) TYRMMEACECPA1ACE2
SCHEMBL28774200 0.73 TYR (0.42) TYRMMEACECPA1ACE2
SCHEMBL962887 0.73 MME (0.33) TYRMMERAB9AACECPA1
SCHEMBL962888 0.73 MME (0.33) TYRMMERAB9AACECPA1
SCHEMBL3551870 0.72 TYR (0.44) TYRMMEACECPA1ACE2
SCHEMBL753926 0.72 TYR (0.44) TYRMMEACECPA1ACE2
SCHEMBL10513380 0.72 TYR (0.44) TYRMMEACECPA1ACE2

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
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP claimed