SCHEMBL454855

SCHEMBL454855

CCCCCCCC(CCCO)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CETP P11597 1/20 0.45

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
SCHEMBL727391 0.95 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7205723 0.95 LMNA (0.59) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL23115448 0.91 LMNA (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL728814 0.91 LMNA (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28291438 0.88 OPRM1 (0.50) LMNATSHRCYP2D6SPHK1GMNN
SCHEMBL28202256 0.88 OPRM1 (0.50) LMNATSHRCYP2D6SPHK1GMNN
SCHEMBL6606474 0.88 OPRM1 (0.50) LMNATSHRCYP2D6SPHK1GMNN
SCHEMBL11333881 0.88 OPRM1 (0.50) LMNATSHRCYP2D6SPHK1GMNN
SCHEMBL980782 0.86 ALDH1A1 (0.41) LMNAALDH1A1HSD17B10MEN1KMT2A
Ammonia Solution, Strong SCHEMBL6405192 0.85 OPRM1 (0.48) LMNATSHRCYP2D6SPHK1GMNN

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-2614055-A2 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES Lupin Limited (IN) 2013-07-17 EP disclosed
WO-2012032389-A2 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2012-03-15 WO disclosed