SCHEMBL4565721

SCHEMBL4565721

O=C1CNC2(CCC(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4Cl)cc3F)CC2)CC1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.32
FEN1 P39748 2/20 0.32
TRPV4 Q9HBA0 2/20 0.31
DCK P27707 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL610510 0.67 AHR (0.44) ALDH1A1
SCHEMBL4538578 0.61 FASN (0.50) ALOX5APFEN1TRPV4DCKALDH1A1
SCHEMBL2463985 0.58 AHR (0.53)
SCHEMBL31554923 0.57 ACLY (0.35) ALOX5APFEN1TRPV4
SCHEMBL3378723 0.55 KIT (0.45) ALDH1A1
SCHEMBL2663826 0.55 KCNH2 (0.43) ALOX5APFEN1ALDH1A1
SCHEMBL2458495 0.54 AHR (0.67) ALDH1A1
SCHEMBL4500062 0.54 SCN9A (0.52)
SCHEMBL10576789 0.53 SRD5A2 (0.43)
SCHEMBL4424115 0.53 RIPK1 (0.40) ALOX5APFEN1ALDH1A1

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-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed