SCHEMBL7974475

SCHEMBL7974475

CNC(=O)C1(CCCCCCCCO)CC2=C(C1)C(=O)C(OC)=C(OC)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPK1 P28482 1/20 0.40
AVPR2 P30518 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 1/20 0.40
PDE3A Q14432 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SLC29A1 Q99808 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 8/20 0.34

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
SCHEMBL7974447 0.81 CYP4F2 (0.43) CYP4F2CYP4A11LMNAPGRCYP3A4
SCHEMBL7974393 0.78 CYP4F2 (0.46) CYP4F2CYP4A11
SCHEMBL7972852 0.76 LMNA (0.44) CYP4F2CYP4A11LMNAPGRCYP3A4
SCHEMBL7971401 0.71 LMNA (0.40) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL7977404 0.64 MAPT (0.46) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL15661792 0.62 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL7972666 0.62 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL17378006 0.62 CETP (0.44) CYP4F2CYP4A11
SCHEMBL22098378 0.61 CYP4F2 (1.00) CYP4F2CYP4A11CYP3A4MAPTTDP1
SCHEMBL22098215 0.61 CYP4F2 (1.00) CYP4F2CYP4A11CYP3A4MAPTTDP1

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