SCHEMBL8364322

SCHEMBL8364322

COC(=S)NC(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.39
RAB9A P51151 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL8364318 1.00 MME (0.39) MMERAB9AACECPA1ACE2
SCHEMBL22414041 0.79 CA2 (0.47) MMERAB9AACECPA1ACE2
SCHEMBL9359890 0.78 ALDH1A1 (0.45) MMERAB9AACECPA1ACE2
SCHEMBL444915 0.77 MME (0.41) MMERAB9AACECPA1ACE2
SCHEMBL194100 0.77 MME (0.41) MMERAB9AACECPA1ACE2
SCHEMBL194101 0.77 MME (0.41) MMERAB9AACECPA1ACE2
SCHEMBL9500789 0.75
SCHEMBL9500795 0.75
SCHEMBL3507245 0.73 TGFBR1 (0.55) MMERAB9AACECPA1ACE2
SCHEMBL12694106 0.73 TGFBR1 (0.55) MMERAB9AACECPA1ACE2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804735-A4 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES HOPE CITY (US) 1999-12-22 EP disclosed
US-5807748-A N-terminal protein sequencing reagents and methods which form amino acid detectable by a variety of techniques CITY OF HOPE (US) 1998-09-15 US disclosed
EP-0804735-A1 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES CITY OF HOPE (US) 1997-11-05 EP disclosed
WO-1996002003-A1 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES CITY OF HOPE (US) 1996-01-25 WO disclosed