SCHEMBL5227646

SCHEMBL5227646

O=C(CCCCCCCCCCCBr)O[n+]1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PAM P19021 2/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
LPAR1 Q92633 3/20 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
SCHEMBL5875417 0.92 LMNA (0.35) L3MBTL1LMNAMAPTTDP1HDAC3
SCHEMBL5875252 0.90 TSHR (0.32) L3MBTL1LMNAMAPTTDP1PAM
SCHEMBL5875270 0.86 TSHR (0.37) TSHR
SCHEMBL5875398 0.84 PAM (0.49) LMNAMAPTTDP1HDAC11PAM
SCHEMBL11063539 0.84 PAM (0.49) LMNAMAPTTDP1HDAC11PAM
SCHEMBL5874583 0.84 PAM (0.49) LMNAMAPTTDP1HDAC11PAM
SCHEMBL5875224 0.84 PAM (0.49) LMNAMAPTTDP1HDAC11PAM
SCHEMBL5874365 0.84 PAM (0.49) LMNAMAPTTDP1HDAC11PAM
SCHEMBL10556965 0.84 PAM (0.49) LMNAMAPTTDP1HDAC11PAM
SCHEMBL5874710 0.84 PAM (0.49) LMNAMAPTTDP1HDAC11PAM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113806-B1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA PTY LTD (AU) 2007-09-05 EP disclosed
EP-1113805-A4 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LTD (AU) 2004-05-19 EP disclosed
EP-1113806-A4 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LTD (AU) 2003-06-25 EP disclosed
EP-1113805-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS Starpharma Limited (AU) 2001-07-11 EP disclosed
EP-1113806-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS Starpharma Limited (AU) 2001-07-11 EP disclosed
WO-2000015240-A1 ANIONIC OR CATIONIC DENDRIMER ANTIMICROBIAL OR ANTIPARASITIC COMPOSITIONS STARPHARMA LIMITED (AU) 2000-03-23 WO disclosed
WO-2000015239-A1 INHIBITION OF TOXIC MATERIALS OR SUBSTANCES USING DENDRIMERS STARPHARMA LIMITED (AU) 2000-03-23 WO disclosed