Benzene

Benzene

SCHEMBL4866892

CC(C)(C)S(=O)(=O)C(C)(C)C.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 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
SCHEMBL776336 0.88 KDM4E (0.33) L3MBTL1
Fluoride SCHEMBL776542 0.84 KDM4E (0.31) L3MBTL1
SCHEMBL14566914 0.74 ALDH1A1 (0.35) L3MBTL1ALDH1A1
Benzene SCHEMBL9326550 0.74 CA1 (0.40) ALOX15L3MBTL1ALDH1A1
SCHEMBL1622163 0.67 ALDH1A1 (0.40) ALOX15L3MBTL1ALDH1A1
SCHEMBL14256896 0.67 CA1 (0.32)
SCHEMBL20711107 0.67
SCHEMBL12030966 0.67
SCHEMBL11947842 0.67 L3MBTL1 (0.32) L3MBTL1
SCHEMBL5634477 0.67 CA1 (0.39)

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-7375176-B2 Liquid crystal poly(phenylene sulfonic acids) CASE WESTERN RESERVE UNIVERSITY 2008-05-20 US disclosed
US-20050239994-A1 Liquid crystal poly(phenylene sulfonic acids) CASE WESTERN RESERVE UNIVERSITY 2005-10-27 US disclosed