SCHEMBL8923396

SCHEMBL8923396

CCCCCCCN(Cc1ccc(OCC(C)C(=O)O)cc1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC3 O15379 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
TSHR P16473 1/20 0.42
BMP1 P13497 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8767791 0.86 TSHR (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8767687 0.85 TSHR (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8768767 0.83 PPARA (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8923391 0.82 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8923385 0.80 PPARA (0.70) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10891080 0.80 HDAC6 (0.63) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9435378 0.80 CNR1 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8768761 0.78 PPARA (0.57) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5978784 0.76 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL5974889 0.76 PPARA (0.53) PPARGPPARDPPARA

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-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed