SCHEMBL2886653

SCHEMBL2886653

CCCCNN(CC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CA1 P00915 5/20 0.33
CA12 O43570 4/20 0.33
CA2 P00918 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA9 Q16790 3/20 0.32
MMP2 P08253 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
EPHX1 P07099 3/20 0.31
DNM1 Q05193 1/20 0.31
ALOX15 P16050 1/20 0.30
ALDH2 P05091 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
SCHEMBL2856757 0.92 TSHR (0.36) TSHRCA1CA12CA2ALDH1A1
SCHEMBL19621224 0.92 DNM1 (0.40) TSHRCA1CA12CA2ALDH1A1
SCHEMBL181351 0.92 TSHR (0.43) TSHRCA1CA12CA2ALDH1A1
SCHEMBL2886382 0.90 TSHR (0.33) TSHRCA1CA12CA2ALDH1A1
SCHEMBL1796804 0.89 TSHR (0.41) TSHRCA1CA12CA2ALDH1A1
SCHEMBL578736 0.89 TSHR (0.41) TSHRCA1CA12CA2ALDH1A1
SCHEMBL9332363 0.85 EPHX1 (0.44) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL2879975 0.84 TSHR (0.38) TSHRCA1CA12CA2ALDH1A1
SCHEMBL1492441 0.83 TSHR (0.50) TSHRALDH1A1ADH1BADH1CADH1A
Boric Acid SCHEMBL28138892 0.82 TSHR (0.36) TSHRCA1CA12CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7670753-B2 Lithographic printing plate precursor EASTMAN KODAK COMPANY (US) 2010-03-02 US disclosed
US-20080261146-A1 Lithographic Printing Plate Precursor EASTMAN KODAK COMPANY 2008-10-23 US disclosed
EP-1782127-B1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK CO (US) 2008-04-02 EP disclosed
EP-1782127-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK COMPANY (US) 2007-05-09 EP disclosed
WO-2006023667-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK COMPANY (US) 2006-03-02 WO disclosed