SCHEMBL16142012

SCHEMBL16142012

COC(=O)C1(CCCl)CCSCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL20601941 0.91 CYP4F2 (0.49) CYP4F2CYP4A11LMNANPSR1
SCHEMBL20617478 0.82 CYP4F2 (0.50) CYP4F2CYP4A11LMNANPSR1
SCHEMBL21963873 0.81 CYP4F2 (0.40) CYP4F2CYP4A11LMNANPSR1
SCHEMBL20601947 0.81 CYP4F2 (0.49) CYP4F2CYP4A11LMNANPSR1
SCHEMBL16142018 0.76 CYP4F2 (0.47) CYP4F2CYP4A11NPSR1
SCHEMBL31369221 0.75 CYP4F2 (0.36) CYP4F2CYP4A11LMNANPSR1
SCHEMBL4763096 0.74 CYP4F2 (0.41) CYP4F2CYP4A11LMNA
SCHEMBL28419664 0.74 CYP4F2 (0.41) CYP4F2CYP4A11LMNANPSR1
SCHEMBL2824808 0.74 CYP4F2 (0.41) CYP4F2CYP4A11NPSR1
SCHEMBL18208201 0.74 CYP4F2 (0.45) CYP4F2CYP4A11NPSR1

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