SCHEMBL5328827

SCHEMBL5328827

CCCCSCCC(NC(=O)C(CO)C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.40
NOD1 Q9Y239 3/20 0.39
MME P08473 3/20 0.38
ACE P12821 2/20 0.36
POLB P06746 1/20 0.35
FOLH1 Q04609 1/20 0.35
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 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
SCHEMBL5325870 0.91 MME (0.40) HDAC2NOD1MMEACE
SCHEMBL5331000 0.87 MME (0.39) NOD1MMEACEPOLB
SCHEMBL5330523 0.86 MME (0.41) HDAC2MME
SCHEMBL4955878 0.84 HDAC2 (0.44) HDAC2NOD1MMEACEFOLH1
SCHEMBL4952014 0.84 HDAC2 (0.41) HDAC2NOD1MMEACEFOLH1
SCHEMBL4953360 0.82 HDAC2 (0.48) HDAC2NOD1
SCHEMBL4953163 0.81 KDM4E (0.46) HDAC2NOD1FOLH1
SCHEMBL4953409 0.80 HDAC2 (0.49) HDAC2NOD1
SCHEMBL5332134 0.80 LMNA (0.50) FOLH1
SCHEMBL4955334 0.79 NOD1 (0.55) HDAC2NOD1

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