SCHEMBL13620098

SCHEMBL13620098

C/C(=C\C=C(/C)c1sc(-c2ccc(C(=O)C(F)(F)F)cc2)c2c1C(=O)C(F)(F)C2=O)c1sc(-c2ccc(C(=O)C(F)(F)F)cc2)c2c1C(=O)C(F)(F)C2=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
MLYCD O95822 9/20 0.33
HDAC1 Q13547 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL10037356 0.80 HDAC6 (0.41) HDAC6MLYCDHDAC1CES1
SCHEMBL10037348 0.75 HDAC6 (0.47) HDAC6MLYCDHDAC1CES1
SCHEMBL10037355 0.69 HDAC6 (0.42) HDAC6
SCHEMBL10037347 0.64 HDAC6 (0.48) HDAC6HDAC1
SCHEMBL19056956 0.64 CES1 (0.65) HDAC6MLYCDHDAC1CES1
SCHEMBL10037351 0.64 HDAC6 (0.51) HDAC6HDAC1
SCHEMBL12993232 0.61 HDAC6 (0.75) HDAC6MLYCDHDAC1CES1
SCHEMBL12973037 0.60 HDAC6 (0.63) HDAC6MLYCDHDAC1CES1
SCHEMBL14703271 0.59 HDAC6 (0.48) HDAC6MLYCDHDAC1CES1
SCHEMBL23037352 0.59 VHL (0.51) HDAC6MLYCDHDAC1CES1

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
EP-2123690-A1 POLYMER HAVING UNIT OBTAINED BY CONDENSATION OF DIFLUOROCYCLOPENTANEDIONE RING AND AROMATIC RING, ORGANIC THIN FILM USING THE SAME, AND ORGANIC THIN FILM DEVICE Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed