SCHEMBL5276341

SCHEMBL5276341

CCCCCCCCCCCCNCCC(C)(C)OS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
RELA Q04206 4/20 0.39
EPHX1 P07099 4/20 0.39
PPARA Q07869 2/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 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
SCHEMBL5278469 1.00 ALDH1A1 (0.43) ALDH1A1TSHRCA2CA1S1PR2
SCHEMBL2925757 0.84 GGPS1 (0.39) CA2CA1
SCHEMBL28946291 0.84 GGPS1 (0.39) CA2CA1
Propylamine SCHEMBL8915829 0.78 SMPD1 (0.41) ALDH1A1TSHRCA2CA1EPHX1
SCHEMBL1072209 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCA2CA1S1PR2
SCHEMBL5283332 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCA2CA1S1PR2
SCHEMBL15758487 0.76 ALDH1A1 (0.56) ALDH1A1TSHRCA2CA1S1PR2
SCHEMBL9466845 0.76 ALDH1A1 (0.56) ALDH1A1TSHRCA2CA1S1PR2
SCHEMBL11581874 0.76 ALDH1A1 (0.56) ALDH1A1TSHRCA2CA1S1PR2
SCHEMBL778000 0.76 LMNA (0.33)

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
EP-1677111-B1 Method for producing a biochip and blank biochip MICRONAS HOLDING GMBH (DE) 2007-12-05 EP disclosed
EP-1677111-A1 Method for producing a biochip and blank biochip Micronas Holding GmbH (DE) 2006-07-05 EP disclosed