SCHEMBL8925677

SCHEMBL8925677

CCCCCCCN(C(=O)NCc1ccccc1OCC(C)C(=O)OCC)c1ccccc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
EPHX2 P34913 4/20 0.38
ACHE P22303 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
TRPV1 Q8NER1 3/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PPARD Q03181 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 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
SCHEMBL8924428 0.70 PPARA (0.42) PPARGEPHX2PPARDTSHR
SCHEMBL8768939 0.70 PPARA (0.45) PPARGHDAC1HDAC6PPARDTSHR
SCHEMBL8925673 0.66 HDAC1 (0.44) PPARGACHEHDAC1HDAC6PPARD
SCHEMBL8767697 0.63 PPARG (0.46) PPARGHDAC1HDAC6PPARDHDAC3
SCHEMBL2539350 0.61 L3MBTL1 (0.53) RAB9AL3MBTL1
SCHEMBL8768870 0.61 PPARA (0.44) PPARGEPHX2HDAC1HDAC6PPARD
SCHEMBL6001907 0.61 PTPRC (0.50) ALDH1A1RAB9AL3MBTL1
SCHEMBL27701493 0.60 PTGER1 (0.44) PPARGHDAC6PPARDTSHRALDH1A1
SCHEMBL5305401 0.60 LMNA (0.60) PLA2G1BATG4BALDH1A1TP53RAB9A
SCHEMBL9170209 0.60 EPHX2 (0.50) PPARGEPHX2TSHRALDH1A1TP53

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