SCHEMBL6828683

SCHEMBL6828683

COC1CCN(c2ccccc2C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.50
CCR3 P51677 1/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MYC P01106 4/20 0.45
NR4A1 P22736 1/20 0.45
ENPP2 Q13822 3/20 0.44
PTPN1 P18031 2/20 0.43
SCD5 Q86SK9 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
PIK3CA P42336 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TPH1 P17752 1/20 0.41

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
SCHEMBL6650052 0.83 KMT2A (0.60) GAAL3MBTL1MYCNR4A1PTPN1
SCHEMBL15533384 0.81 ALDH1A1 (0.48) HRH1CCR3KCNH2GAAL3MBTL1
SCHEMBL6829549 0.81 NOTUM (0.51) HRH1CCR3KCNH2GAAL3MBTL1
SCHEMBL27676401 0.81 ALDH1A1 (0.48) HRH1CCR3KCNH2GAAL3MBTL1
SCHEMBL11101441 0.80 KDM4E (0.50) GAANR4A1NPC1KMT2AALDH1A1
SCHEMBL11101732 0.80 MYC (0.50) HRH1CCR3KCNH2MYCNR4A1
SCHEMBL11102512 0.80 MYC (0.50) MYCNR4A1ALDH1A1HTTKDM4E
SCHEMBL8048603 0.80 ALDH1A1 (0.61) L3MBTL1MYCNR4A1ENPP2PTPN1
SCHEMBL2562249 0.77 GAA (0.43) HRH1GAASCD5NPC1HTT
SCHEMBL2562246 0.77 GAA (0.43) HRH1GAASCD5NPC1HTT

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-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed