SCHEMBL30525904

SCHEMBL30525904

CCC(C)OS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ TSHR P16473 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ CA14 Q9ULX7 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA13 Q8N1Q1 1/20 0.41
▸ AGO2 Q9UKV8 1/20 0.41

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
SCHEMBL766861 0.84 CA2 (0.44) GAACA1CA2CA12CA9
SCHEMBL92244 0.84 CA2 (0.44) GAACA1CA2CA12CA9
SCHEMBL3838479 0.84 CA2 (0.44) GAACA1CA2CA12CA9
SCHEMBL8393987 0.82 CA2 (0.48) GAACA2HTR6ALDH1A1L3MBTL1
SCHEMBL13296183 0.82 PLCG1 (0.42) GAACA1CA2CA12CA9
SCHEMBL4199633 0.82 ALDH1A1 (0.43) CA1CA2CA12CA9CYP3A4
SCHEMBL7694180 0.82 PLCG1 (0.42) GAACA1CA2CA12CA9
SCHEMBL4199627 0.82 ALDH1A1 (0.43) CA1CA2CA12CA9CYP3A4
SCHEMBL8394023 0.81 PSIP1 (0.47) CYP2C9HTR6TDP1ALDH1A1KMT2A
SCHEMBL10823195 0.81 TSHR (0.48) GAACA1CA2CA12CA9

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-116583596-A Hydrogen peroxide evolved host cells 免疫医疗有限公司 2023-08-11 — — CN disclosed
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