SCHEMBL7205385

SCHEMBL7205385

C=CCOC(=O)CCCCCCCCC=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
EPHX2 P34913 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.42
ABCC4 O15439 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DGKA P23743 2/20 0.39
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKCA P17252 1/20 0.37

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
SCHEMBL10632862 1.00 TSHR (0.66) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL3887514 0.98 TSHR (0.62) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL9428735 0.92 TSHR (0.59) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL3505629 0.89 TSHR (0.70) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL15057492 0.89 TSHR (0.70) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL16049519 0.89 TSHR (0.70) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL11795597 0.88 TSHR (0.81) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL10834721 0.88 TSHR (0.81) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL5392962 0.88 TSHR (0.81) TSHRALDH1A1LMNAEPHX2GAA
SCHEMBL3120781 0.88 TSHR (0.81) TSHRALDH1A1LMNAEPHX2GAA

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-2003106397-A1 A PROCESS FOR PREPARING LONG CHAIN SATURATED OR UNSATURATED OXYGENATED COMPOUNDS MEDESTEA RESEARCH & PRODUCTION S.R.L. (IT) 2003-12-24 WO claimed