SCHEMBL28297062

SCHEMBL28297062

COc1ccccc1C(=O)CCC(C)C(=O)c1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.52
WNT3A P56704 9/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC1 Q13547 1/20 0.52
NPC1 O15118 1/20 0.51
CTSD P07339 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
HPGD P15428 2/20 0.44
CAPN1 P07384 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
XBP1 P17861 1/20 0.43

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
SCHEMBL15979734 0.82 CTNNB1 (0.71) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL13003559 0.81 CTSD (0.53) NPC1CTSDALDH1A1HTTKMT2A
SCHEMBL29018644 0.81 CTSD (0.53) NPC1CTSDALDH1A1HTTKMT2A
SCHEMBL10291572 0.79 CTNNB1 (0.50) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL5189580 0.78 CTNNB1 (0.61) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL30660944 0.77 CTNNB1 (0.61) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL19984923 0.77 CTNNB1 (0.61) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL5307918 0.77 CTNNB1 (0.61) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL18334685 0.77 CTSD (0.49) CTNNB1WNT3ANPC1CTSDALDH1A1
SCHEMBL4303504 0.77 CTSD (0.55) NPC1CTSDALDH1A1HTTKMT2A

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
CN-105705602-B The manufacturing method of portable electronic device component double-coated pressure sensitive adhesive sheet for fixing and portable electronic device 日东电工株式会社 2019-06-04 CN disclosed