SCHEMBL7974447

SCHEMBL7974447

CCOC(=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 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAOA P21397 1/20 0.42
TBXA2R P21731 1/20 0.42
MAPK1 P28482 1/20 0.42
AVPR2 P30518 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
HTT P42858 1/20 0.42
PDE3A Q14432 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SLC29A1 Q99808 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 4/20 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
SCHEMBL7977541 0.88 CYP4F2 (0.35) CYP4F2CYP4A11CYP3A4TDP1KMT2A
SCHEMBL7961051 0.88 ALDH1A1 (0.37) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL7974475 0.81 CYP4F2 (0.43) CYP4F2CYP4A11LMNAMAPTPGR
SCHEMBL7977575 0.79 RAB9A (0.46) LMNACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL7974599 0.79 CYP4F2 (0.44) CYP4F2CYP4A11LMNAMAPTMAPK1
SCHEMBL7972852 0.75 LMNA (0.44) CYP4F2CYP4A11LMNAMAPTPGR
SCHEMBL7971104 0.72 APEX1 (0.36) CYP4F2CYP4A11LMNAMAPTPGR
SCHEMBL798044 0.72 CYP4F2 (0.53) CYP4F2CYP4A11LMNAMAPTMAPK1
SCHEMBL22098179 0.71 CYP4F2 (0.63) CYP4F2CYP4A11LMNAMAPTMAPK1
SCHEMBL7971401 0.70 LMNA (0.40) LMNAMAPTPGRCYP3A4CYP2D6

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