SCHEMBL8524719

SCHEMBL8524719

Clc1ccc(-c2ccccc2)cc1.O=C(O)C(=O)CCC[S+]([O-])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ERCC5 P28715 6/20 0.42
FEN1 P39748 6/20 0.42
CYP1A2 P05177 1/20 0.42
HAO1 Q9UJM8 1/20 0.39
CTRC Q99895 1/20 0.38
ADAMTS5 Q9UNA0 3/20 0.37
MMP2 P08253 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL8482201 0.78 CES2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8484815 0.75 HDAC1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8480256 0.75 HDAC1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8408930 0.75 L3MBTL1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8409999 0.74 L3MBTL1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8485994 0.74 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8408111 0.74 L3MBTL1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6388958 0.72 HDAC1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29131286 0.72 ALDH1A1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8523983 0.71 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-5874473-A OSTEOPOROSIS; ANTIARTHRITIC AGENTS BAYER CORPORATION (US) 1999-02-23 US disclosed