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Sugi Predict / Compounds / Cyclohexane

Cyclohexane

Cyclohexane

SCHEMBL7551852

C1CCCCC1.CC(C)C1COC(=O)N1C(=O)C(CC(=O)N1CCOCC1)S(C)(=O)=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL6ST P40189 5/20 0.42
▸ STAT3 P40763 1/20 0.39
▸ IDH1 O75874 4/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ FKBP1A P62942 1/20 0.32

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
SCHEMBL7551846 0.87 IL6ST (0.39) IL6STSTAT3IDH1MAPTALDH1A1
SCHEMBL4717588 0.80 CTSS (0.47) —
SCHEMBL7444558 0.75 CTSS (0.42) IL6STSTAT3IDH1
SCHEMBL7445465 0.75 CTSS (0.42) IL6STSTAT3IDH1
SCHEMBL5760620 0.75 CTSS (0.42) IL6STSTAT3IDH1
SCHEMBL5760623 0.75 CTSS (0.42) IL6STSTAT3IDH1
SCHEMBL7551856 0.75 IDH1 (0.35) IL6STSTAT3IDH1PIK3CDALDH1A1
SCHEMBL7439715 0.72 FKBP1A (0.47) IL6STMEN1KMT2AMAPTALDH1A1
SCHEMBL7327072 0.72 FKBP1A (0.47) IL6STMEN1KMT2AMAPTALDH1A1
SCHEMBL7439721 0.72 FKBP1A (0.47) IL6STMEN1KMT2AMAPTALDH1A1

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
WO-2001049288-A9 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2001-10-25 — — WO disclosed