SCHEMBL4200780

SCHEMBL4200780

C=CCOC(=O)C1C2C=CC(C/C=C\C2)C1C(=O)OCC=C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 3/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4200786 1.00 TSHR (0.42) TSHRPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL4200784 0.94 SMN1; SMN2 (0.49) TSHRPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL4200789 0.94 SMN1; SMN2 (0.49) TSHRPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14493389 0.86 ALDH1A1 (0.53) TSHRPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7755420 0.86 ALDH1A1 (0.53) TSHRPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL990584 0.80 ALDH1A1 (0.63) TSHRPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL5070821 0.79 ALDH1A1 (0.47) TSHRPOLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5068756 0.79 ALDH1A1 (0.47) TSHRPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL472107 0.78 TSHR (0.59) TSHRPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3780920 0.78 TSHR (0.46) TSHRPOLBMAPK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511110-B2 Crosslinkable polyorganosiloxane compositions WACKER CHEMIE AG (DE) 2009-03-31 US disclosed
US-7385000-B2 Silicone rubber composition having improved storage stability WACKER CHEMIE AG (DE) 2008-06-10 US disclosed
US-20060135689-A1 Crosslinkable polyorganosiloxane compositions WACKER CHEMIE GMBH (DE) 2006-06-22 US disclosed
US-20060084745-A1 Silicone rubber composition having improved storage stability WACKER-CHEMIE GMBH (DE) 2006-04-20 US disclosed
US-6359098-B1 SHELF LIFE AS ONE-COMPONENT ADDITION-CURABLE ORGANOPOLYSILOXANES, AND EXTENDED POT LIFE FOR TWO-COMPONENT ADDITION-CURABLE ORGANOPOLYSILOXANES, WITHOUT COMPROMISING CROSSLINKING RATES OR LEVELS WACKER-CHEMIE GMBH (DE) 2002-03-19 US disclosed
US-6252028-B1 PLATINUM CATALYST WACKER-CHEMIE GMBH (DE) 2001-06-26 US disclosed