SCHEMBL6778438

SCHEMBL6778438

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
TBXAS1 P24557 1/20 0.49
PTPN1 P18031 1/20 0.48
PTGS2 P35354 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL6773900 0.89 CHRNB2 (0.51) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6777976 0.88 CHRNB2 (0.50) GAANPSR1SMN1; SMN2ALDH1A1TBXAS1
SCHEMBL20024754 0.86 GAA (0.66) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8421528 0.85 SMN1; SMN2 (0.61) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL1948207 0.85 GAA (0.64) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6774718 0.85 PTGS2 (0.65) GAASMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL6773891 0.84 TSHR (0.47) GAANPSR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11815554 0.84 GAA (0.72) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL10204619 0.84 CHRNB2 (0.45) GAANPSR1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8053320 0.83 GAA (0.44) GAANPSR1SMN1; SMN2KDM4EHSD17B10

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