SCHEMBL4814730

SCHEMBL4814730

CCCCCCCCC(C)(OCCO)OCCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GGPS1 O95749 3/20 0.36
SMPD1 P17405 1/20 0.36
FDPS P14324 4/20 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
SCHEMBL14778845 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14778884 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14778504 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14779155 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14779694 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14779154 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14778437 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14778885 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14779452 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS
SCHEMBL14779834 0.85 TSHR (0.38) THRBTSHRGGPS1SMPD1FDPS

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
WO-2008149375-A1 IMPROVED ORGANOSILICON COMPOUNDS RANKA, SEEMA, AJAY (IN) 2008-12-11 WO claimed