SCHEMBL7974599

SCHEMBL7974599

CCOC(=O)C1(CCCCCCCCO)Cc2c(c(OC)c(OC)c(OC)c2OC)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.44
CYP4A11 Q02928 4/20 0.44
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
ABCB11 O95342 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 3/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7971427 0.87 CYP1A2 (0.36) CYP4F2CYP4A11KMT2AALDH1A1
SCHEMBL7974479 0.87 IMPDH1 (0.37) KMT2AALDH1A1MEN1MAPK1POLB
SCHEMBL7972666 0.83 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL7974393 0.80 CYP4F2 (0.46) CYP4F2CYP4A11
SCHEMBL7974447 0.79 CYP4F2 (0.43) CYP4F2CYP4A11KMT2AALDH1A1MEN1
SCHEMBL7971422 0.78 RAB9A (0.48) KMT2AALDH1A1MEN1L3MBTL1LMNA
SCHEMBL798044 0.74 CYP4F2 (0.53) CYP4F2CYP4A11KMT2AALDH1A1MEN1
SCHEMBL22098179 0.73 CYP4F2 (0.63) CYP4F2CYP4A11KMT2AALDH1A1MEN1
SCHEMBL3492496 0.70 CYP4F2 (0.49) CYP4F2CYP4A11KMT2AALDH1A1MEN1
SCHEMBL882521 0.68 CYP4F2 (0.47) CYP4F2CYP4A11KMT2AALDH1A1MEN1

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