SCHEMBL25313803

SCHEMBL25313803

COc1ccc(OCC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.56
HDAC6 Q9UBN7 8/20 0.56
HDAC1 Q13547 2/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL22530929 0.91 AOC3 (0.47) HDAC4HDAC6HDAC1HDAC8
SCHEMBL25311176 0.91 HDAC4 (0.55) HDAC4HDAC6HDAC1
SCHEMBL22530597 0.90 HDAC6 (0.55) HDAC4HDAC6HDAC1HDAC8
SCHEMBL22530917 0.90 HDAC4 (0.56) HDAC4HDAC6HDAC1
SCHEMBL22530564 0.89 HDAC6 (0.61) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29388979 0.89 HDAC6 (0.61) HDAC4HDAC6HDAC1HDAC8
SCHEMBL22530665 0.89 HDAC4 (0.52) HDAC4HDAC6HDAC1HDAC8
SCHEMBL22531297 0.89 MAPT (0.54) HDAC4HDAC6HDAC1HDAC8
SCHEMBL22531080 0.88 HDAC4 (0.59) HDAC4HDAC6HDAC1HDAC8
SCHEMBL22531266 0.86 HDAC6 (0.50) HDAC4HDAC6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN claimed
EP-3953341-B1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD (IN) 2023-07-26 EP claimed
EP-3953341-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP claimed
CN-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN disclosed
EP-3953341-B1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD (IN) 2023-07-26 EP disclosed