Sugi Predict

Sugi Predict / Compounds / SCHEMBL9316932

SCHEMBL9316932

SCHEMBL9316932

C=C(C)C(=O)OCCS(=O)(=O)CCO

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA2 P00918 1/20 0.30

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
SCHEMBL9228965 0.92 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5872171 0.85 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3291007 0.85 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10894924 0.84 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10901127 0.84 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5872286 0.82 TSHR (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9070045 0.82 APEX1 (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5872182 0.81 TSHR (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5872126 0.81 TSHR (0.64) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8432970 0.80 ALDH1A1 (0.41) TSHRALDH1A1APEX1HTTCA2

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
US-5362767-A Copolymers comprising propellanes and contact lenses made therefrom CIBA-GEIGY CORPORATION (US) 1994-11-08 — — US disclosed