SCHEMBL6783264

SCHEMBL6783264

C=Cc1ccc(OCC(=O)OC(C)CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
PTGS2 P35354 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6778614 0.87 MAPT (0.61) MAPTPOLBSMN1; SMN2ALDH1A1PTGS2
SCHEMBL9627341 0.83 MAPT (0.45) MAPTPOLBSMN1; SMN2PTGS2CHRNB2
SCHEMBL9628616 0.83 MAPT (0.47) MAPTPOLBSMN1; SMN2ALDH1A1PTGS2
SCHEMBL8046959 0.81 MAPT (0.45) MAPTPOLBSMN1; SMN2ALDH1A1PTGS2
SCHEMBL8046962 0.81 MAPT (0.45) MAPTPOLBSMN1; SMN2ALDH1A1PTGS2
SCHEMBL13784551 0.80 MAPT (0.60) MAPTPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6778438 0.80 GAA (0.62) MAPTPOLBSMN1; SMN2ALDH1A1PTGS2
SCHEMBL12394853 0.79 MAPT (0.49) MAPTPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6780646 0.79 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1TSHRCHRNB2
SCHEMBL6774718 0.79 PTGS2 (0.65) MAPTPOLBSMN1; SMN2ALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed