SCHEMBL4098563

SCHEMBL4098563

CC(C(=O)O)=C(C)C12CC3CC(CC(C#N)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PREP P48147 1/20 0.32
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 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
SCHEMBL15771635 0.86
SCHEMBL4887218 0.80 PKM (0.46) ALDH1A1NPSR1MAPTTHRBLMNA
SCHEMBL4092592 0.80 MEN1 (0.38) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL4102904 0.80 PREP (0.34) PREP
SCHEMBL3869634 0.79 ALDH1A1 (0.34) ALDH1A1NPSR1MAPTTHRBLMNA
SCHEMBL3871913 0.79 ALDH1A1 (0.34) ALDH1A1NPSR1MAPTTHRBLMNA
SCHEMBL4093646 0.78 NPSR1 (0.32) NPSR1GLA
SCHEMBL827747 0.78 TSHR (0.41) ALDH1A1NPSR1MAPTTHRBLMNA
SCHEMBL4102876 0.78 HSD11B1 (0.47) ALDH1A1NPSR1THRBSMN1; SMN2PREP
SCHEMBL4092133 0.77 ALDH1A1 (0.33) ALDH1A1

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-9500950-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2016-11-22 US disclosed
US-20160062237-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2016-03-03 US disclosed
US-9213236-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2015-12-15 US disclosed
US-20140162190-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2014-06-12 US disclosed
US-8697343-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2014-04-15 US disclosed
US-20090202945-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-08-13 US disclosed