SCHEMBL4683920

SCHEMBL4683920

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
FAAH O00519 3/20 0.47
ACACB O00763 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.45
RARB P10826 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
GPR88 Q9GZN0 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 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
SCHEMBL4685965 0.91 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1FAAHACACBATM
SCHEMBL4686341 0.90 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1FAAHACACBATM
SCHEMBL3645386 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1FAAHACACBATM
SCHEMBL5505866 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1FAAHACACBATM
SCHEMBL3661621 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1FAAHACACBATM
SCHEMBL3648170 0.84 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1FAAHACACBATM
SCHEMBL4685821 0.84 ATM (0.63) SMN1; SMN2MAPK1FAAHATMPOLB
SCHEMBL3376667 0.83 CTSS (0.48) SMN1; SMN2MAPK1FAAHACACBATM
SCHEMBL5222244 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1FAAHACACBATM
SCHEMBL3376664 0.83 CTSS (0.48) SMN1; SMN2MAPK1FAAHACACBATM

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 3 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