SCHEMBL5325870

SCHEMBL5325870

CCCSCCC(NC(=O)C(CO)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.40
HDAC2 Q92769 1/20 0.36
NOD1 Q9Y239 1/20 0.35
LMNA P02545 1/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
LTA4H P09960 1/20 0.34
ACE P12821 1/20 0.33

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
SCHEMBL5328827 0.91 HDAC2 (0.40) MMEHDAC2NOD1ACE
SCHEMBL5330523 0.89 MME (0.41) MMEHDAC2LMNAMETAP2METAP1
SCHEMBL5329907 0.86 ACE (0.42) MMEMETAP2METAP1ACE
SCHEMBL4952818 0.83 MME (0.38) MMEHDAC2NOD1LMNAACE
SCHEMBL4952640 0.83 HDAC2 (0.40) MMEHDAC2METAP2METAP1ACE
SCHEMBL5332134 0.82 LMNA (0.50) LMNALTA4H
SCHEMBL4954065 0.81 HDAC2 (0.44) HDAC2NOD1LMNA
SCHEMBL4953117 0.80 MAPT (0.48) HDAC2NOD1LMNA
SCHEMBL4956250 0.79 HDAC2 (0.45) HDAC2NOD1LMNA
SCHEMBL4951961 0.78 NOD1 (0.50) 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