SCHEMBL16795229

SCHEMBL16795229

CC1(C)OB(c2cc(O)cc(CN3CCC(NC4CCCC4)CC3)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.36
KDM4E B2RXH2 4/20 0.36
ALOX15 P16050 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 5/20 0.35
SIGMAR1 Q99720 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MCHR1 Q99705 1/20 0.34
HIF1A Q16665 1/20 0.34
ACHE P22303 2/20 0.33
BACE1 P56817 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BCHE P06276 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
SCHEMBL16795410 0.83 L3MBTL3 (0.42) KDM4EGAABRD4ALDH1A1
SCHEMBL16795329 0.79 ALDH1A1 (0.43) KDM4EHIF1AALDH1A1
SCHEMBL16795221 0.76 HRH3 (0.40) HIF1AACHEBACE1BCHE
SCHEMBL16795137 0.75 ACHE (0.34) ACHEBACE1ALDH1A1BCHE
SCHEMBL16795444 0.75 GRIN2B (0.38) KDM4EGAABRD4TDP1
SCHEMBL16795141 0.74 CXCR3 (0.51) CXCR3SIGMAR1ACHEBACE1BCHE
SCHEMBL16795407 0.67 KDM4E (0.44) KDM4EALDH1A1
SCHEMBL18579804 0.67 ALDH1A1 (0.49) KDM4EGAATDP1ACHEALDH1A1
SCHEMBL1639345 0.67 ALDH1A1 (0.47) KDM4EGAAALDH1A1
SCHEMBL16426120 0.67 LPL (0.44) HIF1A

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed