SCHEMBL3342897

SCHEMBL3342897

O=S(=O)(OCCCCl)OCCCCl

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.64
CA2 P00918 17/20 0.64
CA9 Q16790 14/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
CA12 O43570 5/20 0.38
CA7 P43166 5/20 0.38
CA14 Q9ULX7 5/20 0.38
CA3 P07451 4/20 0.38
CA4 P22748 4/20 0.38
CA6 P23280 4/20 0.38
CA5A P35218 4/20 0.38
CA5B Q9Y2D0 4/20 0.38
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL29244530 0.83 CA1 (0.52) CA1CA2CA9ALDH1A1TSHR
SCHEMBL1607820 0.81 CA1 (0.42) CA1CA2CA9ALDH1A1TSHR
SCHEMBL11730088 0.80
SCHEMBL28123616 0.78
SCHEMBL1853496 0.78
SCHEMBL3342900 0.78
SCHEMBL5081398 0.76
SCHEMBL11510829 0.76 CA1 (0.56) CA1CA2CA9ALDH1A1TSHR
SCHEMBL9126164 0.76 CA1 (0.56) CA1CA2CA9ALDH1A1TSHR
SCHEMBL11466892 0.72 CA1 (0.52) CA1CA2CA9ALDH1A1TSHR

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-20100159393-A1 METHOD OF DEVELOPING LITHOGRAPHIC PRINTING PLATE PRECURSORS KODAK GRAPHIC COMMUNICATIONS, GMBH (DE) 2010-06-24 US disclosed
EP-1922589-A2 METHOD OF DEVELOPING LITHOGRAPHIC PRINTING PLATE PRECURSORS Kodak Polychrome Graphics GmbH (DE) 2008-05-21 EP disclosed
WO-2007023336-A2 METHOD OF DEVELOPING LITHOGRAPHIC PRINTING PLATE PRECURSORS KODAK POLYCHROME GRAPHICS GMBH (DE) 2007-03-01 WO disclosed