SCHEMBL28660682

SCHEMBL28660682

COc1ccc(Oc2[c]ccc(-c3noc(C(F)(F)F)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.46
HDAC6 Q9UBN7 16/20 0.45
HDAC1 Q13547 11/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC5 Q9UQL6 5/20 0.41
HDAC4 P56524 7/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39

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
SCHEMBL28669773 0.91 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL28655764 0.90 HDAC6 (0.53) NR1H4HDAC6HDAC1HDAC8HDAC5
SCHEMBL28673442 0.89 HDAC6 (0.45) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL28656013 0.88 HDAC6 (0.43) NR1H4HDAC6HDAC1HDAC8HDAC5
SCHEMBL28654893 0.88 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL28671183 0.88 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL28663178 0.86 HDAC1 (0.43) NR1H4HDAC6HDAC1HDAC8HDAC5
SCHEMBL28679007 0.86 HDAC6 (0.40) NR1H4HDAC6HDAC1HDAC8HDAC5
SCHEMBL28663169 0.84 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC5
SCHEMBL28678985 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC5HDAC4

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
CN-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN claimed
CN-113784958-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-10 CN claimed
CN-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN disclosed
CN-113784958-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-10 CN disclosed