SCHEMBL1939465

SCHEMBL1939465

CCCCNCC(O)(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.42
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
GAA P10253 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR4 O95977 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR5 Q9H228 1/20 0.32
EPHX1 P07099 3/20 0.32
ALOX15 P16050 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL30807217 0.82 CA12 (0.44) TSHRPOLBSMN1; SMN2L3MBTL1ALOX15
SCHEMBL3286955 0.80 TSHR (0.50) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
Bromide SCHEMBL29194947 0.78 TSHR (0.48) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28865925 0.74 POLB (0.44) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2014024 0.74 TP53 (0.39) MEN1GLACYP2C19KMT2A
SCHEMBL26503985 0.73 TSHR (0.48) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21553357 0.73 TSHR (0.48) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL29091879 0.73 POLB (0.43) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17148810 0.73 FDPS (0.41) TSHRALDH1A1EPHX1
SCHEMBL10198685 0.72 TSHR (0.52) TSHRPOLBSMN1; SMN2L3MBTL1ALDH1A1

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
EP-2067828-B1 inkjet ink MIMAKI ENG KK (JP) 2011-06-15 EP claimed
EP-2067828-B1 inkjet ink MIMAKI ENG KK (JP) 2011-06-15 EP disclosed
US-7901495-B2 Inkjet ink MIMAKI ENGINEERING CO., LTD. (JP) 2011-03-08 US disclosed