SCHEMBL6778044

SCHEMBL6778044

C=Cc1ccc(OC(OCc2cccc3ccccc23)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ADAM17 P78536 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP10 Q53GL7 2/20 0.36
CASR P41180 1/20 0.35
AKR1B1 P15121 2/20 0.34
FFAR1 O14842 1/20 0.34
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL6778674 0.84 SIRT2 (0.42) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6774163 0.84 NPC1 (0.43) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6773367 0.82 SIRT2 (0.40) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL16382368 0.80 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1ADAM17MEN1
SCHEMBL6777747 0.80 SIRT2 (0.39) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6778627 0.80 AOC3 (0.36) SIRT2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL6779628 0.78 SIRT2 (0.38) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6778460 0.77 SIRT2 (0.41) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL11901061 0.76 SIRT2 (0.60) SIRT2NPC1RAB9ALMNAPOLB
SCHEMBL6777876 0.75 SIRT2 (0.39) SIRT2NPC1RAB9ALMNAPOLB

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