SCHEMBL28020176

SCHEMBL28020176

O=S(=O)(O)c1c(O)ccc(-c2ccccc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BACE1 P56817 1/20 0.43
DAPK1 P53355 2/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
BCL2L1 Q07817 1/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
MAOA P21397 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL30633654 0.87 BACE1 (0.45) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL87477 0.87 BACE1 (0.45) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL4163081 0.85 BACE1 (0.43) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL10908718 0.85 HDAC4 (0.46) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL28345725 0.80 BACE1 (0.52) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL29700247 0.79 ALDH1A1 (0.54) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL3042569 0.79 ALDH1A1 (0.54) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL21794267 0.77 TSHR (0.41) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL8370458 0.76 CYP2D6 (0.41) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL8367595 0.76 TNNI3 (0.41) BACE1DAPK1ALOX5MEN1MAPT

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-104726237-A Yellow-spot-removing dry cleaning agent SHANGHAI PENGGANG IND DEV CO LTD 2015-06-24 CN disclosed