SCHEMBL17399562

SCHEMBL17399562

CC(C)CC(C)NC1CCC(NC2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 2/20 0.37
THRB P10828 1/20 0.37
SLC6A4 P31645 1/20 0.37
EPHX1 P07099 2/20 0.36
GAA P10253 2/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 2/20 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
SCHEMBL13995784 0.92 EPHX1 (0.40) ALDH1A1HSD17B10L3MBTL1ATMSLC6A4
SCHEMBL13958907 0.92 EPHX1 (0.40) ALDH1A1HSD17B10L3MBTL1ATMSLC6A4
SCHEMBL13995810 0.92 EPHX1 (0.40) ALDH1A1HSD17B10L3MBTL1ATMSLC6A4
SCHEMBL13995809 0.90 GAA (0.39) ALDH1A1HSD17B10L3MBTL1ATMSLC6A4
SCHEMBL13995781 0.90 GAA (0.39) ALDH1A1HSD17B10L3MBTL1ATMSLC6A4
SCHEMBL19221643 0.86 SLC6A4 (0.38) ALDH1A1L3MBTL1SLC6A4EPHX1GAA
SCHEMBL13995938 0.86 SLC6A4 (0.38) ALDH1A1L3MBTL1SLC6A4EPHX1GAA
SCHEMBL13995965 0.86 SLC6A4 (0.38) ALDH1A1L3MBTL1SLC6A4EPHX1GAA
SCHEMBL28831887 0.80 EPHX1 (0.41) ALDH1A1HSD17B10L3MBTL1ATMTHRB
SCHEMBL1241693 0.78 SLC6A4 (0.40) SLC6A4EPHX1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190900-B1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS HENKEL AG & CO KGAA (DE) 2016-01-06 EP disclosed