SCHEMBL6779628

SCHEMBL6779628

C=Cc1ccc(OC(CCCC)OCc2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP10 Q53GL7 2/20 0.34
TGM2 P21980 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
MTNR1A P48039 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL6777747 0.93 SIRT2 (0.39) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6773367 0.89 SIRT2 (0.40) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6774163 0.81 NPC1 (0.43) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6781472 0.81 PPARG (0.38) LMNACHRNB4CHRNA3CHRNA7TDP1
SCHEMBL6778674 0.79 SIRT2 (0.42) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6778044 0.78 SIRT2 (0.42) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6697119 0.78 CHRNB2 (0.38) CHRNB4CHRNA3CHRNA7TDP1
SCHEMBL6694528 0.78 CHRNB2 (0.41) MAPTSMN1; SMN2MEN1KMT2ACHRNB4
SCHEMBL6694092 0.77 CHRNB2 (0.40) MEN1KMT2ACHRNB4CHRNA3CHRNA7
SCHEMBL6699716 0.76 CHRNB2 (0.39) NPC1RAB9ALMNAMAPTCHRNB4

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