SCHEMBL5085765

SCHEMBL5085765

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 1/20 0.50
FAAH O00519 3/20 0.48
CYP26A1 O43174 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.46
CTSA P10619 4/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL844472 0.89 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1FAAHNPC1RAB9A
SCHEMBL14040614 0.89 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1FAAHNPC1RAB9A
SCHEMBL4097623 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1FAAHNPC1RAB9A
SCHEMBL3663293 0.88 FAAH (0.58) SMN1; SMN2MAPK1FAAHNPC1RAB9A
SCHEMBL16680706 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1FAAHNPC1RAB9A
SCHEMBL4265545 0.88 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1FAAHNPC1RAB9A
SCHEMBL2320404 0.88 FAAH (0.59) SMN1; SMN2MAPK1FAAHCYP26A1NPC1
SCHEMBL5181827 0.88 KMT2A (0.53) SMN1; SMN2MAPK1FAAHCYP26A1NPC1
SCHEMBL2367175 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1FAAHNPC1RAB9A
SCHEMBL5504818 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1FAAHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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