SCHEMBL27587010

SCHEMBL27587010

[CH2]C(O)C(=O)c1ccccc1S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
LMNA P02545 3/20 0.33
MDM4 O15151 2/20 0.33
TP53 P04637 2/20 0.33
SRC P12931 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HMGB1 P09429 1/20 0.32
HPGD P15428 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
SCHEMBL29256321 0.77 CES2 (0.56) ALDH1A1CES2CES1HPGD
SCHEMBL27995319 0.77 CES2 (0.61) MAPTALDH1A1ALOX15CES2CES1
SCHEMBL29256271 0.76 LMNA (0.53) LMNASMN1; SMN2
SCHEMBL25144723 0.76 MAPT (0.58) MAPTHDAC8ALDH1A1ALOX15CA1
SCHEMBL4348607 0.75 CES2 (0.59) MAPTHDAC8ALDH1A1ALOX15CES2
SCHEMBL1821914 0.74 MAPT (0.68) MAPTHDAC8ALDH1A1ALOX15CA1
Thiosalicylic Acid SCHEMBL50376 0.72 MAPT (1.00) MAPTHDAC8ALDH1A1ALOX15CA1
Thiosalicylic Acid SCHEMBL31208541 0.72 MAPT (1.00) MAPTHDAC8ALDH1A1ALOX15CA1
Thiosalicylic Acid SCHEMBL629705 0.72 MAPT (1.00) MAPTHDAC8ALDH1A1ALOX15CA1
Thiosalicylic Acid SCHEMBL28313023 0.72 MAPT (1.00) MAPTHDAC8ALDH1A1ALOX15CA1

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-1395579-A Method for synthesis of alpha-D-GA (1-3) GAL-containing oligosaccharides ALCHEMIA PTY LTD (AU) 2003-02-05 CN disclosed