SCHEMBL8480256

SCHEMBL8480256

CCCCCCC(=O)C(=O)O.Clc1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.56
HDAC2 Q92769 7/20 0.56
HDAC3 O15379 6/20 0.56
HDAC4 P56524 6/20 0.56
HDAC7 Q8WUI4 6/20 0.56
HDAC10 Q969S8 6/20 0.56
HDAC11 Q96DB2 6/20 0.56
HDAC8 Q9BY41 6/20 0.56
HDAC6 Q9UBN7 6/20 0.56
HDAC9 Q9UKV0 6/20 0.56
HDAC5 Q9UQL6 6/20 0.56
CES2 O00748 6/20 0.54
CES1 P23141 6/20 0.54
POLB P06746 1/20 0.49
SOAT1 P35610 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8484815 1.00 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8482201 0.94 CES2 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8409999 0.84 L3MBTL1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8408111 0.84 L3MBTL1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8408930 0.82 L3MBTL1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8485994 0.81 HDAC3 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
Catechol SCHEMBL380042 0.79 CES2 (0.62) CES2CES1
Dodecanoate SCHEMBL28056278 0.77 GPR84 (0.63) HDAC11CES2CES1POLBCYP1A2
Biphenyl SCHEMBL7778554 0.77 KMT2A (0.61) HDAC11CES2CES1POLBSOAT1
Behenic Acid SCHEMBL8855897 0.77 GPR84 (0.68) HDAC11CES2CES1POLBSOAT1

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