SCHEMBL9360569

SCHEMBL9360569

NC(=O)C1OC1c1ccccc1CCCCCCCCc1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
GAA P10253 1/20 0.39
NR3C2 P08235 1/20 0.39
MAOB P27338 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
PTGFR P43088 1/20 0.36
IDO1 P14902 2/20 0.36
CNR1 P21554 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
POLQ O75417 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9356497 0.86 CYSLTR2 (0.43) HDAC1HDAC8SIRT2SIRT1CYSLTR2
SCHEMBL9356843 0.82 BID (0.49) HDAC1CYSLTR2CYSLTR1
SCHEMBL10445309 0.82 BID (0.49) HDAC1CYSLTR2CYSLTR1
SCHEMBL9356490 0.82 BID (0.49) HDAC1CYSLTR2CYSLTR1
SCHEMBL9356869 0.82 CYSLTR2 (0.53) LIPGCYSLTR2CYSLTR1
SCHEMBL9356850 0.82 BID (0.49) HDAC1CYSLTR2CYSLTR1
SCHEMBL9356495 0.82 BID (0.49) HDAC1CYSLTR2CYSLTR1
SCHEMBL9360562 0.82 HDAC1 (0.46) HDAC1HDAC8GAANR3C2MAOB
SCHEMBL9356518 0.78 CYSLTR2 (0.47) CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL9360639 0.78 ALDH1A1 (0.40) CYSLTR2CYSLTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403250-B1 Phenylglycidamides useful for preparing alpha-hydroxy-beta-sulfido-arylpropionic acid derivatives SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP disclosed
EP-0403250-A2 Phenylglycidamides useful for preparing alpha-hydroxy-beta-sulfido-arylpropionic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed