SCHEMBL14553380

SCHEMBL14553380

Cc1cc(CCC(=O)NCCO)cc(C)c1Oc1ccc(O)c(C(=O)Nc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 12/20 0.52
▸ THRA P10827 10/20 0.52
▸ PCNA P12004 2/20 0.49
▸ ALOX15 P16050 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL16124417 0.90 PCNA (0.63) THRBTHRAPCNAALOX15LMNA
SCHEMBL16124464 0.84 PCNA (0.53) THRBTHRAPCNAALOX15LMNA
SCHEMBL16124418 0.79 PCNA (0.63) THRBTHRAPCNALMNA
SCHEMBL14488333 0.78 THRB (0.44) THRBTHRAPCNAALOX15LMNA
SCHEMBL16124502 0.77 THRB (0.66) THRBTHRAPCNALMNA
SCHEMBL16124445 0.77 PCNA (0.56) THRBTHRAPCNAALOX15LMNA
SCHEMBL16126154 0.76 ALOX15 (0.46) PCNAALOX15LMNAHDAC3EGFR
SCHEMBL14553372 0.75 THRB (0.53) THRBTHRAPCNA
SCHEMBL16124463 0.73 PCNA (0.53) THRBTHRAPCNA
SCHEMBL2786630 0.69 THRB (1.00) THRBTHRA

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
WO-2013006734-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2013-01-10 — — WO disclosed
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