SCHEMBL8419833

SCHEMBL8419833

C=CCc1cc(C#CC2C(O)C3CCN2CC3)ccc1OCC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
MAPK1 P28482 2/20 0.37
FDFT1 P37268 1/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ESR1 P03372 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL8420486 0.83 FDFT1 (0.43) PTPN1L3MBTL1MAPK1FDFT1ALDH1A1
SCHEMBL8418559 0.81 ATM (0.44) MAPK1FDFT1ALDH1A1SMN1; SMN2GAA
SCHEMBL8420062 0.75 FDFT1 (0.47) FDFT1
SCHEMBL8968757 0.75 FDFT1 (0.62) FDFT1
SCHEMBL8919905 0.75 FDFT1 (0.41) MAPK1FDFT1ALDH1A1SMN1; SMN2GAA
SCHEMBL8919982 0.72 MMP13 (0.46) MAPK1FDFT1ALDH1A1SMN1; SMN2ESR1
SCHEMBL8419678 0.72 FDFT1 (0.39) L3MBTL1MAPK1FDFT1ALDH1A1LMNA
SCHEMBL8918772 0.71 ALDH1A1 (0.39) FDFT1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8921229 0.71 ATM (0.43) MAPK1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8422011 0.69 L3MBTL1 (0.50) PTPN1L3MBTL1MAPK1ALDH1A1LMNA

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