SCHEMBL5329907

SCHEMBL5329907

CCCSCC(NC(=O)C(CO)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.42
MME P08473 1/20 0.41
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 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
SCHEMBL5331000 0.91 MME (0.39) ACEMME
SCHEMBL5332031 0.87 MME (0.43) ACEMME
SCHEMBL5325870 0.86 MME (0.40) ACEMMEMETAP2METAP1
SCHEMBL4949650 0.82 ACE (0.46) ACEMETAP2METAP1
SCHEMBL4955844 0.82 ACE (0.46) ACEMETAP2METAP1
SCHEMBL5332357 0.81 MME (0.46) ACEMME
SCHEMBL4949670 0.80 NOD1 (0.41) ACEMMEMETAP2METAP1
SCHEMBL4956217 0.80 MAPT (0.50) ACEMETAP2METAP1
SCHEMBL14991078 0.80 MAPT (0.50) ACEMETAP2METAP1
SCHEMBL4954319 0.78 NOD1 (0.41) ACEMETAP2METAP1

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
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed