Sugi Predict

Sugi Predict / Compounds / SCHEMBL7858201

SCHEMBL7858201

SCHEMBL7858201

CCCCCS(=O)(=O)CCNCCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.40
▸ CES1 P23141 5/20 0.40
▸ FAAH O00519 5/20 0.40
▸ CES2 O00748 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RELA Q04206 4/20 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
SCHEMBL10336762 0.88 CA2 (0.54) CA2CA1CES1FAAHCES2
SCHEMBL9816370 0.85 ALDH1A1 (0.50) CA2CA1ALDH1A1TSHRRELA
SCHEMBL9816676 0.83 ALDH1A1 (0.48) CA2CA1ALDH1A1TSHRRELA
SCHEMBL9816627 0.83 ALDH1A1 (0.48) CA2CA1ALDH1A1TSHRRELA
SCHEMBL9816608 0.83 ALDH1A1 (0.48) CA2CA1ALDH1A1TSHRRELA
SCHEMBL9248155 0.83 RELA (0.49) CA2CA1CES1FAAHCES2
SCHEMBL9816529 0.83 ALDH1A1 (0.48) CA2CA1ALDH1A1TSHRRELA
SCHEMBL9816512 0.83 ALDH1A1 (0.48) CA2CA1ALDH1A1TSHRRELA
SCHEMBL9816580 0.82 TSHR (0.41) CA2CA1ALDH1A1TSHRRELA
Propanol SCHEMBL8778744 0.81 CA2 (0.54) CA2CES1FAAHCES2ALDH1A1

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
JP-2001233851-A N-(2-HYDROXYETHYL)-2-ARYLSULFONYLETHYLAMINE AND METHOD OF PRODUCING THE SAME SUMITOMO CHEM CO LTD 2001-08-28 — — JP disclosed