SCHEMBL14488333

SCHEMBL14488333

O=C(CCc1ccc(Oc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(I)c1I)NCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.44
▸ THRA P10827 3/20 0.44
▸ PCNA P12004 1/20 0.41
▸ HDAC3 O15379 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ FADS1 O60427 2/20 0.39
▸ PNLIP P16233 4/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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 0.83 PCNA (0.63) THRBTHRAPCNAALOX15SMN1; SMN2
SCHEMBL14553380 0.78 THRB (0.52) THRBTHRAPCNAHDAC3EGFR
SCHEMBL16124464 0.76 PCNA (0.53) THRBTHRAPCNAFADS1ALOX15
SCHEMBL16126154 0.72 ALOX15 (0.46) PCNAHDAC3EGFRHDAC4HDAC1
SCHEMBL16124418 0.72 PCNA (0.63) THRBTHRAPCNASMN1; SMN2LMNA
SCHEMBL16124445 0.70 PCNA (0.56) THRBTHRAPCNAHDAC3EGFR
SCHEMBL16124502 0.70 THRB (0.66) THRBTHRAPCNATMPRSS4PNLIP
SCHEMBL16124435 0.65 PCNA (0.69) PCNALMNA
SCHEMBL16124463 0.65 PCNA (0.53) THRBTHRAPCNAALDH1A1
SCHEMBL7197436 0.63 TMPRSS4 (0.67) HDAC3EGFRHDAC4HDAC1HDAC7

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
Send feedback