SCHEMBL14553372

SCHEMBL14553372

Cc1cc(CCC(=O)NS(C)(=O)=O)cc(C)c1Oc1ccc(O)c(C(=O)NCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 13/20 0.53
▸ THRA P10827 11/20 0.53
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ PCNA P12004 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ERCC1 P07992 1/20 0.42
▸ ERCC4 Q92889 1/20 0.42
▸ TUBB P07437 1/20 0.41
▸ HSP90AA1 P07900 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
SCHEMBL16124422 0.90 PCNA (0.56) THRBTHRACA2CA4PCNA
SCHEMBL16124445 0.78 PCNA (0.56) THRBTHRAPCNAHPGDHSD17B10
SCHEMBL16124463 0.76 PCNA (0.53) THRBTHRAPCNAALDH1A1ERCC1
SCHEMBL16124418 0.76 PCNA (0.63) THRBTHRAPCNAHPGDHSD17B10
SCHEMBL16124501 0.76 THRB (0.65) THRBTHRAPCNAHPGDHSD17B10
SCHEMBL14553380 0.75 THRB (0.52) THRBTHRAPCNA
SCHEMBL28413869 0.72 THRA (0.61) THRBTHRAKDM4EALDH1A1HPGD
SCHEMBL2813680 0.70 THRB (1.00) THRBTHRA
SCHEMBL23733121 0.69 HDAC2 (0.59) KDM4EALDH1A1HPGD
SCHEMBL20439216 0.69 HPGD (0.61) THRBTHRACA2CA4KDM4E

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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