SCHEMBL4098646

SCHEMBL4098646

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.34
ALOX15 P16050 1/20 0.34
P2RX7 Q99572 1/20 0.33
NPC1 O15118 1/20 0.33
HSD11B1 P28845 2/20 0.31
POLB P06746 1/20 0.31
SLC22A1 O15245 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
ADRB3 P13945 1/20 0.30
ACHE P22303 1/20 0.30
OPRK1 P41145 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
SCHEMBL4095697 0.89 HSD11B1 (0.35) HSD11B1
SCHEMBL5608428 0.82 MEN1 (0.46) MEN1KMT2AMAPTGAAALOX12
SCHEMBL8197101 0.82 MEN1 (0.46) MEN1KMT2AMAPTGAAALOX12
SCHEMBL4100142 0.79 MEN1 (0.39) MEN1KMT2AMAPTGAAALOX12
SCHEMBL4084962 0.79 NPSR1 (0.34) HSD11B1
SCHEMBL4095010 0.78 MEN1 (0.38) MEN1KMT2AMAPTGAAALOX12
SCHEMBL4091653 0.78 ALDH1A1 (0.36) HSD11B1
SCHEMBL827747 0.78 TSHR (0.41) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL4102876 0.78 HSD11B1 (0.47) SMN1; SMN2HSD11B1
SCHEMBL4102904 0.77 PREP (0.34)

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