SCHEMBL28002575

SCHEMBL28002575

CC(C)(CO)CCCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
FFAR1 O14842 2/20 0.42
CPT2 P23786 1/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 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
1,6-Hexanediol SCHEMBL8723953 1.00 TDP1 (0.42) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL156985 1.00 TDP1 (0.42) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL158354 1.00 TDP1 (0.42) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL6260578 0.97 CYP4F2 (0.39) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL2379795 0.94
SCHEMBL11088869 0.91 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL6268365 0.91 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL6267734 0.91 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL11088264 0.91 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
Gemcadiol SCHEMBL636304 0.91 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11

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
CN-104513353-A Composition bonded with organic silicon JIANGMEN ABQ ELECTRONIC MATERIAL CO LTD 2015-04-15 CN claimed