SCHEMBL6694129

SCHEMBL6694129

C=Cc1ccc(OC(OC2CCCC2)C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A3 P47895 1/20 0.33
HPGD P15428 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL21235014 0.99 HPGD (0.35) ALDH1A1KDM4EALDH1A3HPGDSIRT2
SCHEMBL6689352 0.99 HPGD (0.35) ALDH1A1KDM4EALDH1A3HPGDSIRT2
SCHEMBL2770233 0.86 L3MBTL1 (0.33)
SCHEMBL5900974 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EALDH1A3HPGDSIRT2
SCHEMBL685735 0.84 ALDH1A1 (0.35) ALDH1A1KDM4EALDH1A3HPGDCHRNB2
SCHEMBL6697869 0.81 HPGD (0.32) ALDH1A1KDM4EHPGDCHRNB2CHRNB4
SCHEMBL6694197 0.80 HPGD (0.34) ALDH1A1KDM4EHPGDCHRNB2CHRNB4
SCHEMBL21235013 0.79 NPSR1 (0.44) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL6699705 0.78 SMN1; SMN2 (0.38) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL5901152 0.78 CHRNB2 (0.36) ALDH1A1KDM4ECHRNB2CHRNB4CHRNA3

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 5 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-0959389-B1 Diazodisulfone compound and radiation-sensitive resin composition JSR CORP (JP) 2004-03-31 EP 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
US-6143460-A PHOTOACID GENERATOR PROVIDING IMPROVED PHOTORESIST RESOLUTION JSR CORPORATION (JP) 2000-11-07 US disclosed
EP-0959389-A1 Diazodisulfone compound and radiation-sensitive resin composition JSR Corporation (JP) 1999-11-24 EP disclosed