SCHEMBL3980705

SCHEMBL3980705

COc1cccc(-c2nc3cc(Oc4c(Br)cc(CCC(=O)O)cc4Br)ccc3[nH]2)c1.Cc1nc2cc(Oc3c(Br)cc(CCC(=O)O)cc3Br)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.45
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
DGAT1 O75907 1/20 0.43
PIN1 Q13526 1/20 0.42
VDR P11473 1/20 0.42
PPARD Q03181 1/20 0.42
FFAR1 O14842 1/20 0.41
DHODH Q02127 1/20 0.40
CHEK2 O96017 1/20 0.40
PARP1 P09874 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL3978262 0.96 HDAC6 (0.48) HDAC6THRATHRBPPARGPPARA
SCHEMBL3980703 0.93 HDAC6 (0.44) HDAC6PPARGPPARAPIN1VDR
SCHEMBL4299146 0.88 THRA (0.49) THRATHRBPPARGPPARADGAT1
SCHEMBL3982935 0.87 THRA (0.54) THRATHRBFFAR1
SCHEMBL4299049 0.84 THRA (0.48) THRATHRBPPARGPPARADGAT1
SCHEMBL4528770 0.81 THRA (0.46) THRATHRBPPARGPPARADGAT1
SCHEMBL4299282 0.80 THRA (0.44) HDAC6THRATHRBPPARGPPARA
SCHEMBL3977650 0.78 CHEK2 (0.44) HDAC6THRATHRBPPARGPPARA
SCHEMBL4305218 0.78 THRA (0.47) THRATHRBPPARGPPARADGAT1
SCHEMBL5858114 0.77 THRB (0.53) THRATHRBPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO disclosed