SCHEMBL14539769

SCHEMBL14539769

C/C=C(\O)C(CCC)Oc1cccc(-c2noc(C)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KIFC1 Q9BW19 6/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MAPT P10636 2/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL5165451 0.89 PPARG (0.52) L3MBTL1KIFC1NPC1RAB9ASMN1; SMN2
SCHEMBL5165350 0.86 L3MBTL1 (0.50) L3MBTL1KIFC1NPC1RAB9ASMN1; SMN2
SCHEMBL5162953 0.86 L3MBTL1 (0.50) L3MBTL1KIFC1NPC1RAB9ASMN1; SMN2
SCHEMBL7183487 0.82 L3MBTL1 (0.48) L3MBTL1KIFC1NPC1RAB9ASMN1; SMN2
SCHEMBL14408258 0.81 L3MBTL1 (0.45) L3MBTL1KIFC1NPC1RAB9ASMN1; SMN2
SCHEMBL14408266 0.81 L3MBTL1 (0.52) L3MBTL1KIFC1NPC1RAB9ASMN1; SMN2
SCHEMBL14539768 0.79 L3MBTL1 (0.52) L3MBTL1KIFC1NPC1RAB9ASMN1; SMN2
SCHEMBL16481854 0.75 L3MBTL1 (0.64) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL7294504 0.74 L3MBTL1 (0.62) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5163666 0.74 MAPK14 (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPT

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
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed