SCHEMBL3629795

SCHEMBL3629795

CC(C)CC(C)(C)CO.CC(C)CCCCCO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL27824928 0.81 LMNA (0.42) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL27353886 0.81 LMNA (0.42) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL104641 0.80
SCHEMBL14839871 0.80 LMNA (0.50) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2201832 0.80 LMNA (0.50) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL352004 0.80 LMNA (0.50) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL26877 0.80
Isostearyl Alcohol SCHEMBL8716 0.80 LMNA (0.50) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5498280 0.80 LMNA (0.50) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9620428 0.80 LMNA (0.50) LMNAALDH1A1MEN1KMT2AHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565509-B1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CHEMTURA ORGANOMETALLICS GMBH (DE) 2010-03-10 EP disclosed
US-7297804-B2 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALICS GMBH (DE) 2007-11-20 US disclosed
US-20060047101-A1 Catalytic composition of organotin compounds CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-03-02 US disclosed
EP-1565509-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS Crompton GmbH (DE) 2005-08-24 EP disclosed
WO-2004050742-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CROMPTON GMBH (DE) 2004-06-17 WO disclosed