SCHEMBL21180962

SCHEMBL21180962

CC(C)CCCC(C)(C)CCCCCC(C)(OO)OO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 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
SCHEMBL20429857 0.93 MEN1 (0.45) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL18697210 0.82 LMNA (0.52) MEN1CYP3A4ALOX15KMT2ATSHR
SCHEMBL21180973 0.82 LMNA (0.52) MEN1CYP3A4ALOX15KMT2ATSHR
SCHEMBL6881038 0.78 TSHR (0.40) MEN1CYP3A4ALOX15KMT2ATSHR
SCHEMBL20430092 0.76 LMNA (0.34) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL20530413 0.72 LMNA (0.39) MEN1CYP3A4ALOX15KMT2AFFAR1
SCHEMBL8736714 0.72 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2AFFAR1
SCHEMBL21989948 0.72 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2AFFAR1
SCHEMBL3628284 0.72 TSHR (0.44) TSHR
SCHEMBL25292006 0.71 LMNA (0.37) MEN1CYP3A4ALOX15KMT2AFFAR1

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
EP-2935177-B1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 6,10-DIMETYLUNDEC-5-EN-2-ONE OR 6,10-DIMETYLUNDECA-5,9-DIEN-2-ONE DSM IP ASSETS BV (NL) 2019-07-24 EP disclosed