SCHEMBL5331000

SCHEMBL5331000

CCCCSCC(NC(=O)C(CO)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.39
ACE P12821 6/20 0.39
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOD1 Q9Y239 1/20 0.37
CES1 P23141 1/20 0.36
ICMT O60725 1/20 0.36
TLR2 O60603 1/20 0.35

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
SCHEMBL5329907 0.91 ACE (0.42) MMEACE
SCHEMBL5328827 0.87 HDAC2 (0.40) MMEACEPOLBNOD1
SCHEMBL5332031 0.84 MME (0.43) MMEACE
SCHEMBL4956751 0.83 ACE (0.42) ACEGMNNTP53POLBMAPT
SCHEMBL4955713 0.83 ACE (0.42) ACEGMNNTP53POLBMAPT
SCHEMBL4952711 0.81 NOD1 (0.45) ACEGMNNTP53POLBMAPT
SCHEMBL4953347 0.81 ICMT (0.49) ACEGMNNTP53POLBMAPT
SCHEMBL4951783 0.80 NOD1 (0.46) ACEGMNNTP53POLBMAPT
SCHEMBL5332357 0.79 MME (0.46) MMEACE
SCHEMBL14375191 0.78 CYP2C9 (0.40) ACEGMNNTP53POLBMAPT

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