SCHEMBL28061556

SCHEMBL28061556

CCCCCCCC(CCC)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NR1I2 O75469 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CSNK1E P49674 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
HDAC3 O15379 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL20387064 0.98 GLA (0.35) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL27130295 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL30426267 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL27124384 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL5903025 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL25440569 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL5554713 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL20091321 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL20689617 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2
SCHEMBL27126087 0.96 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6NR1I2

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-103923060-B Oseltamivir derivative and its preparation method and application SHANDONG UNIVERSITY (CN) 2016-05-25 CN disclosed