SCHEMBL4100141

SCHEMBL4100141

C=C(CCC12CC3CC(C)(C1)CC(C(=O)OC)(C3)C2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 2/20 0.32
ALOX12 P18054 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
HDAC1 Q13547 4/20 0.31
HDAC8 Q9BY41 4/20 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
SCHEMBL4097840 0.91 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5935900 0.87 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4103941 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GAAALOX15
SCHEMBL4103897 0.82 TSHR (0.35) SMN1; SMN2
SCHEMBL4089961 0.82 TSHR (0.38) SMN1; SMN2GAA
SCHEMBL4032638 0.80 MEN1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4095006 0.79 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5935973 0.79 TSHR (0.33) SMN1; SMN2
SCHEMBL4098644 0.78 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4095713 0.78 TSHR (0.32) SMN1; 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 8 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-9348226-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2016-05-24 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
US-20060234154-A1 Mixture containing acid generator and free radical catalyst; acrylated ester monomer JSR CORPORATION (JP) 2006-10-19 US disclosed