SCHEMBL4686341

SCHEMBL4686341

CCCCOC(=O)NC(C(=O)O)c1ccc(OCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 1/20 0.49
FAAH O00519 3/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACACB O00763 4/20 0.46
CNR2 P34972 1/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL4683920 0.90 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL5505866 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL3645386 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL3648170 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL4685821 0.88 ATM (0.63) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL5088941 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL5088955 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL5222244 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL4682883 0.87 POLB (0.52) SMN1; SMN2MAPK1ATMFAAHNPC1
SCHEMBL1553456 0.86 FOLH1 (0.51) SMN1; SMN2MAPK1ATMFAAHNPC1

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-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP 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
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 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