SCHEMBL3484938

SCHEMBL3484938

NCCC(=O)Oc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2c(N=C=S)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
SMAD3 P84022 1/20 0.43
PRMT1 Q99873 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
ALOX12 P18054 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
BRCA1 P38398 1/20 0.42

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
Ethylenediamine SCHEMBL17865717 0.90 FTO (0.50) FTOMAPTMEN1HTTKMT2A
SCHEMBL16544 0.87 FTO (0.55) FTOMAPTMEN1HTTKMT2A
SCHEMBL29472215 0.87 FTO (0.55) FTOMAPTMEN1HTTKMT2A
SCHEMBL7517620 0.86 MEN1 (0.38) FTOMAPTMEN1HTTKMT2A
SCHEMBL9013831 0.86 FTO (0.54) FTOMAPTMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL5440613 0.86 FTO (0.54) FTOMAPTMEN1HTTKMT2A
SCHEMBL10486825 0.86 FTO (0.54) FTOMAPTMEN1HTTKMT2A
SCHEMBL5960073 0.85 MAPT (0.46) FTOMAPTMEN1HTTKMT2A
SCHEMBL9561179 0.83 ALDH1A1 (0.62) FTOMAPTMEN1HTTKMT2A
Hexaethylene Glycol SCHEMBL5438588 0.82 FTO (0.46) FTOMAPTMEN1HTTKMT2A

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-20100004165-A1 Novel Protein Transduction Domains and Uses Therefor THE ARIZONA BOARD OF REGENTS, A BODY CORPORATE ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2010-01-07 US disclosed
EP-1940865-A2 NOVEL PROTEIN TRANSDUCTION DOMAINS AND USES THEREFOR Arizona Board Regents, a body corporate of the State of Arizona, acting for and on behalf of Arizona State University (US) 2008-07-09 EP disclosed
WO-2007053512-A2 NOVEL PROTEIN TRANSDUCTION DOMAINS AND USES THEREFOR THE ARIZONA BOARD OF REGENTS, A BODY CORPORATE ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2007-05-10 WO disclosed