SCHEMBL8419759

SCHEMBL8419759

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.31
F10 P00742 2/20 0.30
PLG P00747 2/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8419593 0.88 FDFT1 (0.49) FDFT1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL8421874 0.86 FDFT1 (0.39) FDFT1
SCHEMBL8417632 0.86 FDFT1 (0.60) FDFT1
SCHEMBL8420062 0.85 FDFT1 (0.47) FDFT1
SCHEMBL8419673 0.85 FDFT1 (0.41) FDFT1
SCHEMBL8919905 0.84 FDFT1 (0.41) FDFT1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL8419678 0.84 FDFT1 (0.39) FDFT1L3MBTL1MAPK1LMNAALDH1A1
SCHEMBL8422049 0.82 FDFT1 (0.40) FDFT1
SCHEMBL8420059 0.82 FDFT1 (0.38) FDFT1LMNACYP3A4F10PLG
SCHEMBL8420031 0.81 FDFT1 (0.42) FDFT1LMNAALDH1A1SMN1; SMN2TSHR

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