SCHEMBL6778614

SCHEMBL6778614

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
PTGS2 P35354 2/20 0.46
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
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40

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
SCHEMBL9628616 0.87 MAPT (0.47) MAPTPTGS2CHRNB2CHRNB4CHRNA3
SCHEMBL6783264 0.87 MAPT (0.47) MAPTPTGS2CHRNB2CHRNB4CHRNA3
SCHEMBL11784059 0.86 MAPT (0.63) MAPTPTGS2SMN1; SMN2POLBALDH1A1
SCHEMBL8046959 0.84 MAPT (0.45) MAPTPTGS2CHRNB2CHRNB4CHRNA3
SCHEMBL8046962 0.84 MAPT (0.45) MAPTPTGS2CHRNB2CHRNB4CHRNA3
SCHEMBL9627341 0.84 MAPT (0.45) MAPTPTGS2CHRNB2CHRNB4CHRNA3
SCHEMBL6774718 0.82 PTGS2 (0.65) MAPTPTGS2CHRNB2CHRNB4CHRNA3
SCHEMBL6773891 0.82 TSHR (0.47) MAPTPTGS2CHRNB2CHRNB4CHRNA3
SCHEMBL6778438 0.81 GAA (0.62) MAPTPTGS2CHRNB2CHRNB4CHRNA3
SCHEMBL23605758 0.80 MAPT (0.69) MAPTSMN1; SMN2TP53RXFP1GAA

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 3 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
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP disclosed