SCHEMBL4965330

SCHEMBL4965330

CCCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
PTPN11 Q06124 1/20 0.46
PTPRO Q16827 1/20 0.46
PLK1 P53350 1/20 0.44
FAAH O00519 1/20 0.43
FFAR1 O14842 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ALDH1A1 P00352 1/20 0.42
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL1733849 0.99 PTPN11 (0.48) PTGESPTPN11PTPROPLK1FAAH
SCHEMBL4672519 0.99 PTPN11 (0.48) PTGESPTPN11PTPROPLK1FAAH
SCHEMBL4314702 0.99 PTPN11 (0.48) PTGESPTPN11PTPROPLK1FAAH
SCHEMBL1853577 0.96 PTGES (0.47) PTGESPTPN11PTPROPLK1FFAR1
SCHEMBL1854444 0.93 PTGES (0.48) PTGESPTPN11PTPROFFAR1PTGDR2
SCHEMBL1856809 0.92 FAAH (0.51) PLK1FAAHHDAC1HDAC8ALDH1A1
SCHEMBL1852821 0.91 PTGES (0.59) PTGESPTPN11PTPROPLK1FFAR1
SCHEMBL1853462 0.90 PLK1 (0.50) PLK1FAAHHDAC1HDAC8ALDH1A1
SCHEMBL1855895 0.90 PLK1 (0.50) PLK1FAAHHDAC1HDAC8ALDH1A1
SCHEMBL4671671 0.89 FFAR1 (0.46) PTGESPTPN11PTPROPLK1FAAH

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-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed