SCHEMBL31344705

SCHEMBL31344705

CC(C)c1ccccc1S(=O)(=O)N(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 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
SCHEMBL9962271 0.82 ALDH1A1 (0.51) HSD11B1POLBGABRA1GABRB2L3MBTL1
SCHEMBL3925077 0.82 POLB (0.43) HSD11B1POLBGABRA1GABRB2L3MBTL1
SCHEMBL27852913 0.78 HSD11B1 (0.47) HSD11B1POLBGABRA1GABRB2L3MBTL1
SCHEMBL29353004 0.78 HSD11B1 (0.47) HSD11B1POLBGABRA1GABRB2L3MBTL1
SCHEMBL29617 0.78 HSD11B1 (0.47) HSD11B1POLBGABRA1GABRB2L3MBTL1
SCHEMBL9379437 0.77 HSD11B1 (0.54) HSD11B1POLBGABRA1GABRB2L3MBTL1
SCHEMBL799370 0.77 POLB (0.42) HSD11B1POLBL3MBTL1CYP1A2HIF1A
Ammonia Solution, Strong SCHEMBL340600 0.76 HSD11B1 (0.46) HSD11B1POLBGABRA1GABRB2L3MBTL1
SCHEMBL5692778 0.76 HSD11B1 (0.50) HSD11B1POLBGABRA1GABRB2L3MBTL1
SCHEMBL22345145 0.76 HSD11B1 (0.46) HSD11B1POLBGABRA1GABRB2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024251389-A1 PLASTICIZERS FOR POLYAMIDE PROVIRON HOLDING N.V. (BE) 2024-12-12 — — WO claimed
WO-2024251389-A1 PLASTICIZERS FOR POLYAMIDE PROVIRON HOLDING N.V. (BE) 2024-12-12 — — WO disclosed
WO-2024251389-A1 PLASTICIZERS FOR POLYAMIDE PROVIRON HOLDING N.V. (BE) 2024-12-12 — — WO disclosed
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