SCHEMBL3661621

SCHEMBL3661621

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
FAAH O00519 5/20 0.46
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
GPR88 Q9GZN0 2/20 0.42
ACACB O00763 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CTSK P43235 1/20 0.39

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
SCHEMBL3645386 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1FAAHATMPOLB
SCHEMBL4683920 0.86 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1FAAHATMPOLB
SCHEMBL844276 0.86 CTSS (0.50) SMN1; SMN2MAPK1FAAHATMGPR88
SCHEMBL844277 0.86 CTSS (0.50) SMN1; SMN2MAPK1FAAHATMGPR88
SCHEMBL4686341 0.86 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1FAAHATMPOLB
SCHEMBL5505866 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1FAAHATMPOLB
SCHEMBL4685965 0.84 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1FAAHATMPOLB
SCHEMBL4685821 0.82 ATM (0.63) SMN1; SMN2MAPK1FAAHATMPOLB
SCHEMBL7271316 0.81 POLB (0.53) SMN1; SMN2MAPK1FAAHPOLBLMNA
SCHEMBL5222244 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1FAAHATMPOLB

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-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