SCHEMBL7971185

SCHEMBL7971185

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCC(=O)O)(c1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
IMPDH1 P20839 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7974408 0.81 EPHX2 (0.39) EPHX2MAPTRXFP1HDAC3HDAC4
SCHEMBL7974482 0.77 ALDH1A1 (0.39) HDAC11IMPDH1MEN1KMT2APOLB
SCHEMBL7971359 0.68 MEN1 (0.51) L3MBTL1MEN1KMT2ALMNAPDE4B
SCHEMBL433785 0.67 EPHX2 (0.53) EPHX2L3MBTL1MEN1KMT2APOLB
SCHEMBL12886747 0.65 LMNA (0.44) EPHX2L3MBTL1MEN1KMT2ALMNA
SCHEMBL9765038 0.65 DPP4 (0.50) EPHX2L3MBTL1MEN1KMT2APOLB
SCHEMBL8484287 0.64 MAOA (0.50) EPHX2L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5070469 0.63 HDAC3 (0.46) MAPTRXFP1HDAC3HDAC4HDAC1
Stearic Acid SCHEMBL28097856 0.62 GPR84 (0.59) EPHX2MAPTHDAC11MEN1KMT2A
SCHEMBL21131084 0.62 SLC6A4 (0.49) EPHX2L3MBTL1MEN1KMT2ASMN1; SMN2

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed