SCHEMBL290242

SCHEMBL290242

CC(C)(O)C(C)(C)OB(O)c1cc(-c2ccccc2)cs1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
MGLL Q99685 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL15225080 0.78 DAO (0.37)
SCHEMBL2353580 0.77 DAO (0.31)
SCHEMBL290331 0.76 MGLL (0.45) HDAC6HSD17B1HSD17B2MGLL
SCHEMBL15225532 0.75 MGLL (0.47) MGLL
SCHEMBL14830420 0.75 MGLL (0.51) MGLL
SCHEMBL577885 0.72
SCHEMBL486247 0.72 SMN1; SMN2 (0.30)
SCHEMBL119711 0.71 TRPV6 (0.39) MGLL
SCHEMBL18833188 0.71 CA1 (0.34) MGLL
SCHEMBL584051 0.70 ALDH1A1 (0.33) HDAC6

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-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed