SCHEMBL3663293

SCHEMBL3663293

CCCCOC(=O)NC(CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
PRNP P04156 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CTSA P10619 3/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL16680706 0.90 SMN1; SMN2 (0.48) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5085765 0.88 SMN1; SMN2 (0.50) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL844472 0.88 SMN1; SMN2 (0.57) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL14040614 0.88 SMN1; SMN2 (0.57) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2320404 0.87 FAAH (0.59) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4097623 0.87 SMN1; SMN2 (0.48) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5181827 0.87 KMT2A (0.53) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4265545 0.87 SMN1; SMN2 (0.50) FAAHSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4850183 0.87 CTSA (0.48) FAAHSMN1; SMN2MAPK1PRNPNPSR1
SCHEMBL16680263 0.86 ITGB3 (0.45) FAAHSMN1; SMN2NPC1RAB9AHPGD

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-2234982-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080523-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed