SCHEMBL29242522

SCHEMBL29242522

O=S(=O)(O)OOS(=O)(=O)O.Oc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.59
▸ GLB1 P16278 1/20 0.46
▸ CTRB1 P17538 1/20 0.46
▸ CTRC Q99895 1/20 0.46
▸ CA2 P00918 6/20 0.46
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39

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
SCHEMBL5417519 0.81 ALOX15 (0.65) ALOX15GLB1CTRB1CTRCCA2
SCHEMBL10435663 0.78 ALOX15 (0.68) ALOX15GLB1CTRB1CTRCCA2
Parachlorophenol SCHEMBL29039842 0.77 MAPK1 (0.50) ALOX15CA2LMNAALDH1A1KDM4E
SCHEMBL17443 0.77 — —
SCHEMBL6118114 0.77 ALOX15 (1.00) ALOX15GLB1CTRB1CTRCCA2
Phenol SCHEMBL29145519 0.76 CA2 (0.55) ALOX15CA2LMNAALDH1A1SMN1; SMN2
Phenol SCHEMBL28187095 0.76 CA2 (0.55) ALOX15CA2LMNAALDH1A1SMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL8499489 0.76 ALOX15 (0.56) ALOX15GLB1CTRB1CTRCCA2
Formaldehyde SCHEMBL9616525 0.75 ALOX15 (0.81) ALOX15GLB1CTRB1CTRCCA2
SCHEMBL7938049 0.74 ALOX15 (0.62) ALOX15GLB1CTRB1CTRCCA2

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
CN-118221252-A Method for directionally recycling phenolic wastewater by using carbon nanotube activated potassium persulfate through electron transfer mechanism 南昌航空大学 2024-06-21 — — CN disclosed
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