SCHEMBL16142018

SCHEMBL16142018

COC(=O)C1(CCCl)CCS(=O)(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.30

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
SCHEMBL22014555 0.81 CYP4F2 (0.42) CYP4F2CYP4A11NPSR1POLB
SCHEMBL31369207 0.77 CYP4F2 (0.39) CYP4F2CYP4A11NPSR1
SCHEMBL16142012 0.76 CYP4F2 (0.45) CYP4F2CYP4A11NPSR1
SCHEMBL31369186 0.76 CYP4F2 (0.38) CYP4F2CYP4A11NPSR1
SCHEMBL6268373 0.75 CYP4F2 (0.70) CYP4F2CYP4A11NPSR1
SCHEMBL2824808 0.72 CYP4F2 (0.41) CYP4F2CYP4A11NPSR1POLB
SCHEMBL28419664 0.72 CYP4F2 (0.41) CYP4F2CYP4A11NPSR1
SCHEMBL4763096 0.72 CYP4F2 (0.41) CYP4F2CYP4A11POLB
SCHEMBL18208201 0.72 CYP4F2 (0.45) CYP4F2CYP4A11NPSR1POLB
SCHEMBL16141935 0.72 MEN1 (0.43) POLB

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-2014160649-A1 HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2014-10-02 WO disclosed