SCHEMBL4436554

SCHEMBL4436554

COc1ccc(C(OC(C(C)O)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.42
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.38
NPY5R Q15761 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.36
CA4 P22748 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL7049682 0.82 KIF11 (0.43) KIF11ALDH1A1HSD17B10KCNH2KMT2A
SCHEMBL21562153 0.78 CA4 (0.46) KIF11ALDH1A1KCNH2KMT2ACA4
SCHEMBL17173364 0.78 CA4 (0.46) KIF11ALDH1A1KCNH2KMT2ACA4
SCHEMBL7924524 0.77 KIF11 (0.47) KIF11KCNH2SLC6A4KMT2ACA4
SCHEMBL28346610 0.75 KIF11 (0.44) KIF11ALDH1A1KCNH2KMT2ACA4
SCHEMBL8784660 0.74 CA4 (0.54) KIF11KCNH2CA4LTA4H
SCHEMBL774134 0.74 CA4 (0.54) KIF11KCNH2CA4LTA4H
SCHEMBL7010039 0.73 KMT2A (0.44) KIF11KCNH2KMT2A
SCHEMBL17928455 0.72 KIF11 (0.46) KIF11ALDH1A1HSD17B10KCNH2KMT2A
Bromide SCHEMBL31164184 0.72 CA4 (0.52) KIF11KCNH2CA4LTA4H

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-2131848-A2 COMPOSITIONS AND METHODS FOR POTENTIATED ACTIVITY OF BIOLOGICALY ACTIVE MOLECULES Merck & Co., Inc. (US) 2009-12-16 EP disclosed
EP-2104740-A2 LIPID NANOPARTICLE BASED COMPOSITIONS AND METHODS FOR THE DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES Sirna Therapeutics, Inc. (US) 2009-09-30 EP disclosed
WO-2008147438-A2 LIPID NANOPARTICLE BASED COMPOSITIONS AND METHODS FOR THE DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES SIRNA THERAPEUTICS, INC. (US) 2008-12-04 WO disclosed
WO-2008103276-A2 COMPOSITIONS AND METHODS FOR POTENTIATED ACTIVITY OF BIOLOGICALY ACTIVE MOLECULES MERCK & CO., INC. (US) 2008-08-28 WO disclosed
EP-1922300-A2 CATIONIC LIPIDS AND FORMULATED MOLECULAR COMPOSITIONS CONTAINING THEM Sirna Therapeutics Inc. (US) 2008-05-21 EP disclosed
WO-2007086883-A2 CATIONIC LIPIDS AND FORMULATED MOLECULAR COMPOSITIONS CONTAINING THEM SIRNA THERAPEUTICS, INC. (US) 2007-08-02 WO disclosed
WO-2007086881-A2 CATIONIC LIPIDS AND FORMULATED MOLECULAR COMPOSITIONS CONTAINING THEM SIRNA THERAPEUTICS, INC. (US) 2007-08-02 WO disclosed