SCHEMBL31406930

SCHEMBL31406930

CC(C)COS(=O)(=O)c1cccc2ccccc12.[Na]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ HTR6 P50406 4/20 0.43
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ HCRTR1 O43613 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HTR7 P34969 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL6271690 0.98 CA1 (0.47) CA1CA2CA9HTR6F2
SCHEMBL3689853 0.97 CA1 (0.46) CA1CA2CA9HTR6F2
SCHEMBL781759 0.83 CA1 (0.45) CA1CA2CA9HTR6F2
SCHEMBL29415332 0.83 ALDH1A1 (0.41) ALDH1A1
SCHEMBL16048004 0.83 ALDH1A1 (0.41) ALDH1A1
SCHEMBL30897338 0.82 CA1 (0.53) CA1CA2CA9HTR6F2
SCHEMBL340535 0.82 CA1 (0.53) CA1CA2CA9HTR6F2
SCHEMBL7206163 0.82 CA1 (0.53) CA1CA2CA9HTR6F2
SCHEMBL2199067 0.80 CA1 (0.52) CA1CA2CA9HTR6F2
SCHEMBL6115042 0.80 CA1 (0.55) CA1CA2CA9HTR6F2

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
WO-2025074432-A1 FUNGICIDAL COMPOSITION COMPRISING PYRACLOSTROBIN, CYAZOFAMID AND METIRAM RATHOD RAJIV (IN) 2025-04-10 — — WO disclosed
WO-2025052472-A1 NOVEL FUNGICIDAL COMPOSITION RATHOD RAJIV (IN) 2025-03-13 — — WO disclosed
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