SCHEMBL10693923

SCHEMBL10693923

CCCCN(CCCC)c1ccc(C(OC)(c2ccccc2)c2ccc(N(C)C)cc2C(=O)O)c(N(CCCC)CCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HDAC6 Q9UBN7 5/20 0.35
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
IDO1 P14902 1/20 0.33
CNR2 P34972 1/20 0.33
PDK2 Q15119 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPRO Q16827 1/20 0.33
CRHR1 P34998 1/20 0.33
AR P10275 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL10692867 0.83 ALDH1A1 (0.41) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL10693917 0.72 KDM4E (0.44) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL7780452 0.65 GAA (0.46) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL10689103 0.65 MEN1 (0.39) KDM4EALDH1A1GAASLC16A3SLC16A1
SCHEMBL10788821 0.65 KCNN4 (0.43) KDM4EALDH1A1POLBSLC16A3NR1H2
SCHEMBL3691710 0.64 ALDH1A1 (0.55) KDM4EALDH1A1POLBGAAIDO1
SCHEMBL265593 0.64 KDM4E (0.72) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL4665615 0.64 ALDH1A1 (0.58) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL9186100 0.64 ALDH1A1 (0.52) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL13133332 0.64 KDM4E (0.61) KDM4EALDH1A1POLBGAASLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed