SCHEMBL14207656

SCHEMBL14207656

Bc1ccc(C(c2cccc(F)c2)C(C)(C)C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 1/20 0.35
CNR2 P34972 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CYP26A1 O43174 1/20 0.33
EPHX1 P07099 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL14207676 0.88 HDAC4 (0.38) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL10331383 0.88 HDAC4 (0.40) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL754423 0.88 HDAC4 (0.40) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL10331384 0.88 HDAC4 (0.40) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL764322 0.85 NR3C1 (0.37) CES2CES1
SCHEMBL10201035 0.78 KCNQ2 (0.39) DPP4DPP7OPRM1
SCHEMBL753423 0.77 AR (0.40) MEN1KMT2AMTORKDM4EDPP4
SCHEMBL753573 0.76 HDAC4 (0.41) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL14207655 0.74 CES2 (0.41) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL10331380 0.72 NR3C1 (0.37) HDAC4CES2CES1MEN1KMT2A

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
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed