SCHEMBL8159767

SCHEMBL8159767

CCCCCCCCCCC(CCCCCC)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CSNK1E P49674 1/20 0.39
NR1I2 O75469 1/20 0.38
MIF P14174 1/20 0.37
GAA P10253 1/20 0.36
SLC2A1 P11166 1/20 0.36
OPRM1 P35372 1/20 0.35
HDAC3 O15379 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
SCHEMBL18934219 1.00 MEN1 (0.41) MEN1KMT2ACSNK1ENR1I2MIF
SCHEMBL21880815 0.93 NR1I2 (0.43) MEN1KMT2ACSNK1ENR1I2MIF
SCHEMBL1863820 0.91 NR1I2 (0.41) MEN1KMT2ANR1I2MIFGAA
SCHEMBL16753021 0.90 LMNA (0.41) MEN1KMT2ACSNK1ENR1I2MIF
SCHEMBL11354616 0.87 KMT2A (0.39) MEN1KMT2AMIFGAAHDAC3
SCHEMBL29050846 0.85 MIF (0.43) MEN1KMT2AMIFGAAHDAC3
SCHEMBL11259660 0.85 SLC2A1 (0.44) MEN1KMT2ACSNK1EGAASLC2A1
SCHEMBL10754424 0.85 SLC2A1 (0.44) MEN1KMT2ACSNK1EGAASLC2A1
SCHEMBL14785579 0.85 ALDH1A1 (0.40) MEN1KMT2ANR1I2MIFGAA
SCHEMBL30264728 0.85 KMT2A (0.42) MEN1KMT2ACSNK1EGAAHDAC3

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-6133313-A SPECIFIED AVOCADOFURANS SUCH AS 2-(TETRADECYL)FURAN, 2-(PENTADECYL)FURAN, 2-(HEXADECYL)FURAN, 2-(HEPTADECYL)FURAN, 2-(OCTADECYL)FURAN, 2-(1E-PENTADECENYL)FURAN, DERIVED FROM IDIOBLAST OIL CELLS OF AVOCADO; CONTROLLING SPODOPTERA EXIGUA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-10-17 US disclosed