SCHEMBL8780648

SCHEMBL8780648

COC(=O)C(C)(O)c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
KCNN4 O15554 1/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALPL P05186 1/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3178998 0.85 KCNN4 (0.43) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL31560826 0.83 HDAC6 (0.43) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL405869 0.82 KCNN4 (0.46) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL6400375 0.81 KCNN4 (0.49) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL8591922 0.81 KCNN4 (0.49) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL8636719 0.79 KCNN4 (0.44) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL31612947 0.79 NPSR1 (0.44) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL22407020 0.77 MAPK14 (0.40) HDAC6HDAC3HDAC1HDAC2NPC1
SCHEMBL15670481 0.76 KCNN4 (0.40) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL31612949 0.75 SMN1; SMN2 (0.47) HDAC6HDAC3HDAC1HDAC2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668859-B1 PROCESSES FOR PREPARING 2,4-OXAZOLIDINEDIONES DU PONT (US) 1997-02-26 EP disclosed
US-5552554-A Imidazole and triazole carboxylates, and processes for preparing 2,4-oxazolidinediones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-03 US disclosed
EP-0668859-A1 PROCESSES FOR PREPARING 2,4-OXAZOLIDINEDIONES. DU PONT (US) 1995-08-30 EP disclosed
WO-1994011359-A1 PROCESSES FOR PREPARING 2,4-OXAZOLIDINEDIONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-26 WO disclosed