SCHEMBL19909623

SCHEMBL19909623

CCCCc1cc(OC)cc(-c2cc(OC)cc(I)c2O)c1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
PTGS2 P35354 5/20 0.42
PTGES O14684 1/20 0.40
ESR1 P03372 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TYR P14679 1/20 0.35
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL5270031 0.82 ALOX5 (0.54) ALOX5PTGS2PTGESTDP1L3MBTL1
SCHEMBL18671367 0.80 HDAC4 (0.48) ALOX5PTGS2
SCHEMBL28605004 0.78 ALOX5 (0.54) ALOX5PTGS2PTGESESR1TDP1
SCHEMBL19909624 0.78 ALOX5 (0.33) ALOX5PTGS2PTGESTRPV1
SCHEMBL18673621 0.73 MTNR1A (0.44) PTGS2TDP1L3MBTL1
SCHEMBL18987306 0.72 ALOX5 (0.73) ALOX5PTGS2PTGESTDP1L3MBTL1
SCHEMBL13724775 0.72 ALOX5 (0.44) ALOX5PTGS2PTGESTDP1L3MBTL1
SCHEMBL22764010 0.72 ERN1 (0.45) ALOX5PTGS2PTGESTDP1L3MBTL1
SCHEMBL18342948 0.71 ALOX5 (0.74) ALOX5PTGS2PTGES
SCHEMBL21558842 0.71 ALOX5 (0.74) ALOX5PTGS2PTGES

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
EP-3029050-B1 Bis-phosphites with a naphthyl-phenyl unit as fin component EVONIK DEGUSSA GMBH (DE) 2018-02-28 EP disclosed