SCHEMBL10691440

SCHEMBL10691440

CCCCc1cnc(-c2ccc(OCc3ccc(OCC)cc3)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
MAPT P10636 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 3/20 0.49
RARB P10826 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
THRB P10828 1/20 0.44

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
SCHEMBL10692972 0.96 RAB9A (0.65) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL10688526 0.95 RAB9A (0.64) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL10691554 0.95 RAB9A (0.64) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL10693734 0.95 RAB9A (0.64) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL10689452 0.95 RAB9A (0.64) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL10690206 0.94 RAB9A (0.55) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL10694115 0.93 RAB9A (0.60) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL8035878 0.93 RAB9A (0.62) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL10691422 0.92 RAB9A (0.59) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2
SCHEMBL10692873 0.92 RAB9A (0.59) RAB9AMAPTL3MBTL1NPC1SMN1; SMN2

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