SCHEMBL3500704

SCHEMBL3500704

CCN(CC)CCOc1ccc(C(Cc2ccc(OC)cc2)C(O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.53
LTA4H P09960 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 5/20 0.47
EBP Q15125 4/20 0.47
SIGMAR1 Q99720 3/20 0.47
KCNH2 Q12809 3/20 0.47
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
CHRM1 P11229 2/20 0.47
PTGS1 P23219 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL4310506 0.86 CYP2D6 (0.60) CYP2D6HTTCYP1A2LTA4HCYP2C9
Hydrochloric Acid SCHEMBL3498967 0.85 CYP2D6 (0.59) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL17715386 0.81 CYP2D6 (0.58) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL6009069 0.79 CYP2D6 (0.58) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL19642744 0.78 MCHR1 (0.56) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL19644203 0.78 MCHR1 (0.56) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL19644202 0.78 MCHR1 (0.56) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL19642908 0.77 MCHR1 (0.54) CYP2D6HTTCYP1A2LTA4HCYP2C9
Hydrochloric Acid SCHEMBL29150186 0.77 CYP2D6 (0.58) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL19642909 0.77 MCHR1 (0.59) CYP2D6HTTCYP1A2LTA4HCYP2C9

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-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed