SCHEMBL21784946

SCHEMBL21784946

CCOC(OCC)(C(=O)c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CA2 P00918 1/20 0.43
▸ CES1 P23141 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL18790794 0.92 MAPT (0.40) NPC1RAB9AMAPTCA2CES1
SCHEMBL18790795 0.92 CES1 (0.54) NPC1RAB9AMAPTCES1ALDH1A1
SCHEMBL22309044 0.85 CES1 (0.41) CA2CES1GSK3B
SCHEMBL21784939 0.83 ALDH1A1 (0.50) NPC1RAB9AMAPTCA2CES1
SCHEMBL11482921 0.82 CES1 (0.50) NPC1RAB9AMAPTCES1ALDH1A1
SCHEMBL11086692 0.82 GSK3B (0.43) NPC1RAB9AMAPTCA2CES1
SCHEMBL36702 0.81 CES1 (0.66) NPC1MAPTCES1ALDH1A1LMNA
SCHEMBL9065321 0.81 CES1 (0.66) NPC1MAPTCES1ALDH1A1LMNA
SCHEMBL9800584 0.80 CES1 (0.65) NPC1RAB9AMAPTCA2CES1
SCHEMBL10714002 0.79 CA2 (0.46) NPC1RAB9AMAPTCA2CES1

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-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 — — US disclosed
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