SCHEMBL314341

SCHEMBL314341

C=Cc1ccc(S(=O)(=O)OCCCCCCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.45
BLM P54132 1/20 0.45
CA2 P00918 11/20 0.42
CA1 P00915 10/20 0.42
CA9 Q16790 9/20 0.42
CA12 O43570 4/20 0.42
CA7 P43166 4/20 0.42
CA14 Q9ULX7 3/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR3 Q99500 1/20 0.37

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
SCHEMBL13078558 1.00 RECQL (0.45) RECQLTSHRMAPK1GLAHPGD
Trimethylammonium SCHEMBL9155029 0.96 RECQL (0.41) RECQLTSHRMAPK1GLAHPGD
SCHEMBL15057073 0.94 TDP1 (0.44) RECQLTSHRMAPK1GLAHPGD
SCHEMBL14275049 0.91 TDP1 (0.50) TSHRMAPK1CA2CA1CA9
SCHEMBL4903485 0.87 TDP1 (0.47) RECQLTSHRMAPK1CA2CA1
SCHEMBL27995614 0.87 RECQL (0.57) RECQLTSHRMAPK1GLAHPGD
SCHEMBL27520719 0.87 RECQL (0.57) RECQLTSHRMAPK1GLAHPGD
SCHEMBL27550478 0.85 RECQL (0.55) RECQLTSHRMAPK1GLAHPGD
SCHEMBL26908711 0.84 ABCB1 (0.41) TSHRCA2CA1CA9CA12
SCHEMBL27653792 0.82 RECQL (0.39) RECQLTSHRMAPK1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093342-B2 Polymer, charge control agent, and toner for developing electrostatic latent images CANON KABUSHIKI KAISHA (JP) 2012-01-10 US disclosed
US-20100291482-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
US-20070117945-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2007-05-24 US disclosed