SCHEMBL4565193

SCHEMBL4565193

CCc1nc(N2CCN(Cc3cccc(C(=O)OC)c3)C2=O)sc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.49
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
PKM P14618 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAPK10 P53779 1/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL242641 0.90 SCD (0.58) SCDCD74MIFPKMROCK2
SCHEMBL14047397 0.81 SCD (0.56) SCDPKMROCK2HDAC1
SCHEMBL242539 0.80 SCD (0.78) SCD
SCHEMBL242710 0.79 SCD (0.61) SCDROCK2
SCHEMBL245005 0.79 SCD (0.60) SCDHDAC1
SCHEMBL241054 0.78 SCD (0.61) SCDHDAC1
SCHEMBL243719 0.75 SCD (0.76) SCD
SCHEMBL13555505 0.74 PKM (0.55) PKMROCK2ROCK1ABHD6CYP4F2
SCHEMBL348495 0.72 SCD (0.56) SCD
SCHEMBL4565025 0.72 SCD (0.68) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed