SCHEMBL29004580

SCHEMBL29004580

COc1ccc(I)c(OB(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 5/20 0.42
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1B1 Q16678 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
RAD52 P43351 1/20 0.40
ENPP2 Q13822 2/20 0.39
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
ERN1 O75460 1/20 0.37
TRIM24 O15164 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
Hydrochloric Acid SCHEMBL27036047 0.98 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL30702417 0.81 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL2936012 0.81 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL4099192 0.81 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL30523913 0.81 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL388185 0.80 CA12 (0.62) CA1CA2CA12CA7CA9
SCHEMBL29445512 0.80 CA12 (0.62) CA1CA2CA12CA7CA9
SCHEMBL29066818 0.78 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL28080378 0.78 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL9935773 0.75 ENPP2 (0.48) CA1CA2CA12CA7CA9

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
CN-116121905-B Anti-mite antibacterial moisture-permeable composite fiber material and preparation process thereof 安徽新虹纺织有限公司 2025-06-24 CN disclosed
CN-116121905-A Anti-mite antibacterial moisture-permeable composite fiber material and preparation process thereof 安徽新虹新材料科技有限公司 2023-05-16 CN disclosed