SCHEMBL6651983

SCHEMBL6651983

C=C(C)CCCCC.C=CC(C)CCCC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
CES2 O00748 4/20 0.31
CES1 P23141 4/20 0.31
DNM1 Q05193 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
FFAR1 O14842 1/20 0.31
OPRM1 P35372 1/20 0.30
AKR1B1 P15121 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
SCHEMBL6653698 0.87 CES1 (0.30) MEN1KMT2ACYP3A4CES1
SCHEMBL19006673 0.86
SCHEMBL3389593 0.86
SCHEMBL29883 0.86
SCHEMBL57303 0.82
SCHEMBL13630971 0.82
SCHEMBL28157372 0.81
SCHEMBL16790416 0.80
SCHEMBL1284844 0.80
SCHEMBL11635986 0.78 FFAR4 (0.38) MEN1KMT2AFAAHCYP3A4TSHR

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-1423398-A2 NOVEL PHOSPHITE COMPOUNDS AND NOVEL PHOSPHITE METAL COMPLEXES Oxeno Olefinchemie GmbH (DE) 2004-06-02 EP disclosed
WO-2003016321-A2 NOVEL PHOSPHITE COMPOUNDS AND NOVEL PHOSPHITE METAL COMPLEXES OXENO OLEFINCHEMIE GMBH (DE) 2003-02-27 WO disclosed