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Sugi Predict / Compounds / SCHEMBL7826317

SCHEMBL7826317

SCHEMBL7826317

COC(=O)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1CC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.50
▸ MAPT P10636 14/20 0.39
▸ POLB P06746 2/20 0.39
▸ FBP1 P09467 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ TP53 P04637 4/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL7335046 0.85 HSD11B1 (0.56) HSD11B1MAPTPOLBFBP1SMN1; SMN2
SCHEMBL7336853 0.84 HSD11B1 (0.55) HSD11B1MAPTPOLBFBP1SMN1; SMN2
SCHEMBL7831952 0.84 HSD11B1 (0.52) HSD11B1MAPTPOLB
SCHEMBL7825737 0.84 HSD11B1 (0.52) HSD11B1MAPTPOLBSMN1; SMN2TP53
SCHEMBL7831589 0.81 HSD11B1 (0.49) HSD11B1MAPTPOLBSMN1; SMN2TP53
SCHEMBL7828653 0.80 HSD11B1 (0.48) HSD11B1MAPTPOLBSMN1; SMN2
SCHEMBL7827115 0.78 HSD11B1 (0.46) HSD11B1MAPTPOLBSMN1; SMN2TP53
SCHEMBL7832196 0.77 HSD11B1 (0.43) HSD11B1MAPTPOLBRAB9A
SCHEMBL7824156 0.77 ALDH1A1 (0.46) HSD11B1MAPTPOLBSMN1; SMN2
SCHEMBL7827530 0.76 HSD11B1 (0.43) HSD11B1MAPTPOLBRAB9A

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
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 — — EP claimed