SCHEMBL7972852

SCHEMBL7972852

COC1=C(OC)C(=O)C2=C(CC(CO)(CCCCCCCCO)C2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAOA P21397 1/20 0.44
TBXA2R P21731 1/20 0.44
MAPK1 P28482 1/20 0.44
AVPR2 P30518 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
HTT P42858 1/20 0.44
PDE3A Q14432 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SLC29A1 Q99808 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 8/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL7971401 0.76 LMNA (0.40) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL7974475 0.76 CYP4F2 (0.43) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL7974447 0.75 CYP4F2 (0.43) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL7977404 0.69 MAPT (0.46) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL7971104 0.67 APEX1 (0.36) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL19799191 0.61 MAPT (1.00) LMNAPGRCYP3A4CYP2D6MAPT
Idebenone SCHEMBL10515979 0.61 MAPT (1.00) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL7416961 0.61 MAPT (1.00) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL1242543 0.61 MAPT (1.00) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL7408049 0.61 MAPT (1.00) LMNAPGRCYP3A4CYP2D6MAPT

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