SCHEMBL8996529

SCHEMBL8996529

CC(C)(C)c1cc(Oc2nc(Cl)nc(Cl)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
CA1 P00915 2/20 0.52
HPN P05981 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
PTGS2 P35354 2/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS1 P23219 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL49624 0.87 CA2 (0.61) CA2CA1HPNMAPTALOX15
SCHEMBL30564889 0.79 CA2 (0.52) CA2CA1HPNMAPTALOX15
SCHEMBL5082754 0.79 CA2 (0.71) CA2CA1HPNMAPTALOX15
SCHEMBL11170010 0.77 CYP2C9 (0.53) CA2CA1HPNMAPTALOX15
SCHEMBL7029038 0.77 CA2 (0.53) CA2CA1HPNMAPTALOX15
SCHEMBL11868254 0.75 CA2 (0.57) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL3126079 0.74 CA2 (0.53) CA2CA1HPNMAPTALOX15
SCHEMBL10631750 0.74 CA2 (0.63) CA2CA1HPNMAPTALOX15
SCHEMBL10639221 0.71 ALDH1A1 (0.36) MAPTALOX15SMN1; SMN2ALDH1A1HTT
SCHEMBL8996373 0.71 HPN (0.50) CA2CA1HPNMAPTALOX15

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
US-5578667-A PHOTOSTABILITY, HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1996-11-26 US disclosed
EP-0703227-A1 Watersoluble antioxidants, process of their preparation, and their use for the photochemical and thermical stabilisation of polyamide fibers CIBA-GEIGY AG (CH) 1996-03-27 EP disclosed