SCHEMBL28437637

SCHEMBL28437637

CC(=O)C(C(=O)C(F)(F)F)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ OPRM1 P35372 2/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL22265087 0.81 HDAC4 (0.49) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL2082953 0.81 SRC (0.48) HDAC4CES1MEN1KMT2A
SCHEMBL27444155 0.80 SRC (0.47) HDAC4CES1MEN1KMT2A
SCHEMBL28895362 0.80 HDAC3 (0.39) HDAC4HDAC7HDAC5CES2CES1
Hydrochloric Acid SCHEMBL27461611 0.78 SRC (0.45) HDAC4CES1MEN1KMT2A
SCHEMBL17290574 0.77 HDAC4 (0.49) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL27542241 0.76 UGT2B7 (0.46) MEN1KMT2A
SCHEMBL16559376 0.75 HDAC4 (0.62) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL6312302 0.75 MMP8 (0.47) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL8053106 0.74 CES2 (0.64) HDAC4HDAC7HDAC5CES2CES1

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
CN-108085490-B Extraction composition and method for enriching lithium 青海恒信融锂业科技有限公司 2020-04-28 — — CN disclosed
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