SCHEMBL8420059

SCHEMBL8420059

C=CCc1cc(C(OC(C)=O)C(=O)OCC)ccc1C#CC1C(O)C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.38
F10 P00742 12/20 0.35
PLG P00747 10/20 0.35
F2 P00734 7/20 0.35
PRSS1 P07477 11/20 0.35
PRSS2 P07478 11/20 0.35
PRSS3 P35030 11/20 0.35
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8420031 0.84 FDFT1 (0.42) FDFT1F10PLGF2PRSS1
SCHEMBL8419759 0.82 FDFT1 (0.44) FDFT1F10PLGF2PRSS1
SCHEMBL8919905 0.82 FDFT1 (0.41) FDFT1
SCHEMBL8419678 0.82 FDFT1 (0.39) FDFT1F10PLGF2PRSS1
SCHEMBL8419593 0.80 FDFT1 (0.49) FDFT1
SCHEMBL8419647 0.80
SCHEMBL8420486 0.79 FDFT1 (0.43) FDFT1LMNACYP3A4KDM4E
SCHEMBL8417632 0.79 FDFT1 (0.60) FDFT1
SCHEMBL8420062 0.78 FDFT1 (0.47) FDFT1
SCHEMBL8419682 0.78 FDFT1 (0.46) FDFT1LMNAKDM4E

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed