SCHEMBL22235253

SCHEMBL22235253

CC(C)=CCC#CCCO

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 3/20 0.32
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ICMT O60725 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 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
SCHEMBL7285613 0.80
SCHEMBL14690778 0.75 PTPN7 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL7284905 0.74
SCHEMBL981922 0.71
SCHEMBL11147167 0.70
SCHEMBL9474963 0.70 SQLE (0.62) SQLEALOX15ALDH1A1ICMTMEN1
SCHEMBL9474952 0.70 SQLE (0.62) SQLEALOX15ALDH1A1ICMTMEN1
SCHEMBL10729042 0.69
SCHEMBL15776014 0.69
SCHEMBL11481518 0.69

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911740-A1 ISOPRENOIDS AND METHODS OF MAKING THEREOF North Carolina State University (US) 2021-11-24 EP disclosed
WO-2020150340-A1 ISOPRENOIDS AND METHODS OF MAKING THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2020-07-23 WO disclosed