SCHEMBL9201145

SCHEMBL9201145

COc1cccc(OCc2ccccc2)c1C#N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.76
RAB9A P51151 1/20 0.76
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTR1A P08908 4/20 0.51
ADRA1D P25100 3/20 0.51
ADRA1A P35348 3/20 0.51
ADRA1B P35368 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SGMS2 Q8NHU3 2/20 0.51
KDM4E B2RXH2 1/20 0.51
APP P05067 1/20 0.49
VEGFA P15692 1/20 0.48
GRM2 Q14416 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
RXRA P19793 1/20 0.48
MAOB P27338 2/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL5741190 0.92 NPC1 (0.62) NPC1RAB9AMAPTMAPK1TDP1
SCHEMBL4452726 0.82 NPC1 (0.52) NPC1RAB9AMAPTMAPK1TDP1
SCHEMBL621853 0.81 NPC1 (0.51) NPC1RAB9AMAPTMAPK1TDP1
SCHEMBL8874717 0.81 SQOR (0.57) NPC1RAB9AMAPTMAPK1TDP1
SCHEMBL646003 0.81 NPC1 (0.51) NPC1RAB9AMAPTMAPK1TDP1
SCHEMBL4739158 0.80 RAB9A (0.59) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL13485291 0.80 NPC1 (0.60) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3918899 0.79 NPC1 (0.50) NPC1RAB9AMAPTMAPK1TDP1
SCHEMBL16098128 0.79 RAB9A (0.55) NPC1RAB9AMAPTMAPK1L3MBTL1
SCHEMBL421736 0.79 NPC1 (0.50) NPC1RAB9AMAPTHTR1AADRA1D

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-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed