SCHEMBL1721708

SCHEMBL1721708

CCCCOC(=O)NC(CC(=O)OC)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.43
CXCR2 P25025 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
CXCR1 P25024 1/20 0.40
STS P08842 2/20 0.38
GPR88 Q9GZN0 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3648359 0.85 POLB (0.37) FAAHCXCR2SMN1; SMN2MAPK1NPC1
SCHEMBL4385673 0.83 SMN1; SMN2 (0.51) FAAHSMN1; SMN2MAPK1NPC1HPGD
SCHEMBL3996623 0.82 FAAH (0.55) FAAHSMN1; SMN2MAPK1NPC1HPGD
SCHEMBL1721285 0.82 FAAH (0.47) FAAHSMN1; SMN2MAPK1NPC1HPGD
SCHEMBL4096169 0.81 POLB (0.51) FAAHSMN1; SMN2MAPK1NPC1HPGD
SCHEMBL6831614 0.81 NPC1 (0.47) FAAHSMN1; SMN2MAPK1NPC1HPGD
SCHEMBL8932447 0.77 POLB (0.44) RAB9APOLBMEN1KMT2A
SCHEMBL1721706 0.77 POLB (0.44) RAB9APOLBMEN1KMT2A
SCHEMBL2320404 0.77 FAAH (0.59) FAAHSMN1; SMN2MAPK1NPC1HPGD
SCHEMBL6190128 0.77 FAAH (0.48) FAAHSMN1; SMN2MAPK1NPC1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406247-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 WO disclosed