SCHEMBL4565401

SCHEMBL4565401

CC(C)C1CC2(CCC(S(=O)(=O)c3ccc(-c4ccc5cc(F)cnc5c4)cc3)CC2)NCC1=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.31
LRRK2 Q5S007 2/20 0.31
ALOX5 P09917 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 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
SCHEMBL4541263 0.75 HPGDS (0.33)
SCHEMBL4565386 0.73 FASN (0.40)
SCHEMBL4541625 0.71 FASN (0.38)
SCHEMBL4565553 0.68 FGFR1 (0.37) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4565405 0.68 PTGER3 (0.34)
SCHEMBL4540141 0.68 FASN (0.32)
SCHEMBL15543527 0.67 FASN (0.30)
SCHEMBL4565426 0.67 TGFBR1 (0.38) LRRK2
SCHEMBL4564399 0.67 FASN (0.37)
SCHEMBL4540383 0.66 HPGDS (0.31)

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