Sugi Predict

Sugi Predict / Compounds / SCHEMBL2994002

SCHEMBL2994002

SCHEMBL2994002

CC(C(=O)C(C)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL25713961 0.74 CES2 (0.30) —
SCHEMBL18635296 0.71 CA1 (0.35) CA1CA2CA7CA13
SCHEMBL5634477 0.69 CA1 (0.39) CA1CA2CA7CA13
SCHEMBL12667186 0.69 CA1 (0.39) CA1CA2CA7CA13
SCHEMBL15850460 0.69 CA1 (0.39) CA1CA2CA7CA13
SCHEMBL6008936 0.69 ALDH1A1 (0.41) ALDH1A1L3MBTL1
SCHEMBL12495949 0.67 CA1 (0.50) CA1CA2CA7CA13ALDH1A1
SCHEMBL177619 0.67 CA1 (0.50) CA1CA2CA7CA13ALDH1A1
SCHEMBL27856491 0.67 CA1 (0.32) CA1CA2CA7CA13
SCHEMBL2256986 0.65 CA1 (0.35) CA1CA2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404789-B2 Olefin polymerization catalyst and preparation method and use thereof PETROCHINA COMPANY LIMITED (CN) 2013-03-26 — — US claimed
US-20100184930-A1 OLEFIN POLYMERIZATION CATALYST AND PREPARATION METHOD AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2010-07-22 — — US claimed