SCHEMBL7977404

SCHEMBL7977404

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
PGR P06401 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAOA P21397 1/20 0.46
TBXA2R P21731 1/20 0.46
MAPK1 P28482 1/20 0.46
AVPR2 P30518 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
HTT P42858 1/20 0.46
PDE3A Q14432 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SLC29A1 Q99808 1/20 0.46
ALOX5 P09917 8/20 0.39
HLCS P50747 1/20 0.34
CHRM2 P08172 5/20 0.33

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
SCHEMBL7974714 0.92 MAPT (0.35) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7971395 0.79 ALDH1A1 (0.44) TDP1CYP3A4ALDH1A1
SCHEMBL7972650 0.75
SCHEMBL7974325 0.74 HTR1A (0.48) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7974717 0.70 PKM (0.48) MAPK1HTTALDH1A1
SCHEMBL7961038 0.70 BRD4 (0.35) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL7972852 0.69 LMNA (0.44) MAPTTDP1LMNAPGRCYP3A4
SCHEMBL16128954 0.64
SCHEMBL11108043 0.63 CYP1A2 (0.36) CYP3A4CYP2D6CYP2C9CYP2C19HLCS
SCHEMBL9614688 0.63 HLCS (0.35) HLCSBRD4

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