SCHEMBL28445241

SCHEMBL28445241

CCCCCCCCOC(=O)/C=C/c1ccc(OC)cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.55
APP P05067 5/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
KDM4E B2RXH2 1/20 0.47
LY96 Q9Y6Y9 1/20 0.46

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
SCHEMBL28445243 1.00 HDAC8 (0.55) HDAC8APPALDH1A1MEN1MAPT
SCHEMBL16878990 0.93 APP (0.52) HDAC8APPALDH1A1AKR1B10AKR1B1
SCHEMBL8007239 0.92 MAPT (0.59) HDAC8APPALDH1A1MEN1MAPT
SCHEMBL2226678 0.92 MAPT (0.59) HDAC8APPALDH1A1MEN1MAPT
SCHEMBL25288435 0.87 HDAC8 (0.58) HDAC8ALDH1A1MEN1MAPTKMT2A
SCHEMBL7205018 0.87 HDAC8 (0.58) HDAC8ALDH1A1MEN1MAPTKMT2A
SCHEMBL1232746 0.85 APP (0.53) HDAC8APPALDH1A1AKR1B10AKR1B1
SCHEMBL4531147 0.85 APP (0.53) HDAC8APPALDH1A1AKR1B10AKR1B1
SCHEMBL3782592 0.82 ALDH1A1 (0.58) APPALDH1A1MEN1MAPTKMT2A
SCHEMBL5151394 0.81 MAPT (0.58) HDAC8ALDH1A1MEN1MAPTKMT2A

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-106309421-B Pharmaceutical composition and cosmetic composition 沃凯索法株式会社 2020-08-25 CN disclosed