SCHEMBL6337808

SCHEMBL6337808

CCN(C(C)O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.41
ADH1C P00326 2/20 0.41
ADH1B P00325 1/20 0.36
PHGDH O43175 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SHBG P04278 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL11798406 0.98 ADH1A (0.38) ADH1AADH1CADH1BPHGDHTSHR
SCHEMBL13503176 0.82 ADH1A (0.43) ADH1AADH1CADH1BPHGDHTSHR
SCHEMBL4570869 0.82 ADH1A (0.43) ADH1AADH1CADH1BPHGDHTSHR
SCHEMBL11379282 0.81 ADH1C (0.35) ADH1AADH1CADH1BPHGDHMEN1
SCHEMBL104547 0.79 ADH1A (0.40) ADH1AADH1CADH1BTSHRNPSR1
SCHEMBL17704228 0.78 ADH1A (0.33) ADH1AADH1CADH1BS1PR1S1PR3
SCHEMBL12890106 0.77 ADH1A (0.37) ADH1AADH1CADH1B
SCHEMBL515526 0.76 ADH1C (0.40) ADH1AADH1CTSHRNPSR1ALDH1A1
SCHEMBL14109617 0.76 PER2 (0.33) S1PR1S1PR3
SCHEMBL14109459 0.76 PER2 (0.33) S1PR1S1PR3

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-6863863-B2 Coating composition, a process for its preparation, and its use in the production of textured coated surfaces BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed
EP-1417262-A1 COATING AGENT, METHOD OF PRODUCTION AND USE THEREOF FOR GENERATION OF STRUCTURED PAINTED SURFACES Bayer MaterialScience AG (DE) 2004-05-12 EP disclosed
WO-2003011972-A1 COATING AGENT, METHOD OF PRODUCTION AND USE THEREOF FOR GENERATION OF STRUCTURED PAINTED SURFACES BAYER MATERIALSCIENCE AG (DE) 2003-02-13 WO disclosed
US-20030027922-A1 Hydroxyl group-containing polyester; cross-linker component containing aminoplast resins and/or blocked polyisocyanates; and an organic compound having at least one tertiary amino group BAYER AKTIENGESELLSCHAFT (DE) 2003-02-06 US disclosed
US-4063887-A HYDROXYAMINE COMPOUND CELANESE CORPORATION (US) 1977-12-20 US disclosed