SCHEMBL10692751

SCHEMBL10692751

CCCc1cnc(-c2ccc(OCc3ccc(OCC)cc3)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
THRB P10828 2/20 0.52
RAB9A P51151 7/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.43
DHFR P00374 1/20 0.43
XDH P47989 1/20 0.42
RARB P10826 1/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NQO1 P15559 1/20 0.41

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
SCHEMBL10693600 0.94 RAB9A (0.49) MAPTTHRBRAB9AL3MBTL1NPC1
SCHEMBL7507171 0.92 MAPT (0.54) MAPTTHRBRAB9AL3MBTL1NPC1
SCHEMBL10691440 0.92 RAB9A (0.59) MAPTTHRBRAB9AL3MBTL1NPC1
SCHEMBL10688910 0.91 RXRA (0.50) MAPTTHRBRAB9AL3MBTL1NPC1
SCHEMBL10692972 0.90 RAB9A (0.65) MAPTTHRBRAB9AL3MBTL1NPC1
SCHEMBL10693079 0.90 APP (0.50) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10696045 0.90 RAB9A (0.49) MAPTTHRBRAB9AL3MBTL1NPC1
SCHEMBL10694415 0.90 RAB9A (0.60) MAPTRAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL10689452 0.89 RAB9A (0.64) MAPTTHRBRAB9AL3MBTL1NPC1
SCHEMBL10693734 0.89 RAB9A (0.64) MAPTTHRBRAB9AL3MBTL1NPC1

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-4776973-A LIQUID CRYSTAL ELECTROOPTICS DISPLAY DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-10-11 US disclosed