SCHEMBL12779183

SCHEMBL12779183

C/C(=N\OCc1cccc(Oc2ccccc2)c1)c1cc(Cl)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
S1PR1 P21453 3/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 3/20 0.39
NR1H4 Q96RI1 2/20 0.39
MGLL Q99685 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL12779105 0.89 NPC1 (0.49) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12779122 0.89 NPC1 (0.46) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12779096 0.85 NPC1 (0.46) NPC1RAB9APPARGPPARAMRGPRX4
SCHEMBL12779102 0.82 MAPT (0.49) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12778430 0.81 NPC1 (0.42) NPC1RAB9APPARGPPARAMAOB
SCHEMBL12779173 0.80 MAPT (0.41) NPC1RAB9AS1PR1
SCHEMBL14347664 0.80 PPARG (0.42) NPC1RAB9APPARGNR1H4MGLL
SCHEMBL12779091 0.79 SLC6A4 (0.42) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12779177 0.79 P2RX1 (0.41) NPC1RAB9AS1PR1MRGPRX4
SCHEMBL12779118 0.79 MAPT (0.39) NPC1RAB9AMRGPRX4NR1H4

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
US-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed