SCHEMBL8908092

SCHEMBL8908092

CC1OC(O)CC(OCc2ccccc2)C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
SLC6A2 P23975 1/20 0.39
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
BCHE P06276 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
ACHE P22303 1/20 0.36
FUCA1 P04066 1/20 0.35

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
SCHEMBL17903350 0.87 PDE4D (0.43) PDE4DSLC6A2PSEN1PSEN2APH1B
SCHEMBL18542285 0.87 PDE4D (0.43) PDE4DSLC6A2PSEN1PSEN2APH1B
SCHEMBL7909402 0.85 PDE4D (0.42) PDE4DSLC6A2PSEN1PSEN2APH1B
SCHEMBL8411521 0.81 PDE4D (0.40) PDE4DSLC6A2PSEN1PSEN2APH1B
SCHEMBL10904820 0.81 PDE4D (0.55) PDE4DSLC6A2CYP2C19
SCHEMBL6451122 0.81 PDE4D (0.55) PDE4DSLC6A2CYP2C19
SCHEMBL10904817 0.81 PDE4D (0.55) PDE4DSLC6A2CYP2C19
SCHEMBL12573461 0.79 PDE4D (0.53) PDE4DSLC6A2PSEN1PSEN2APH1B
SCHEMBL17867756 0.79 PDE4D (0.53) PDE4DSLC6A2BCHEACHE
SCHEMBL17867755 0.79 PDE4D (0.53) PDE4DSLC6A2BCHEACHE

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-5625043-A ANTITUMOR CHEMOTHERAPY Priebe, Waldemar 1997-04-29 US disclosed