SCHEMBL7052313

SCHEMBL7052313

c1ccc2c(C3(CNCC4CO4)CO3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 3/20 0.42
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 4/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35

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
SCHEMBL11742168 0.72 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL27815638 0.71 CA12 (0.50) SLC6A4KDM4EALDH1A1
SCHEMBL28087950 0.66 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2KDM4EHTR1A
SCHEMBL28087938 0.64 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2KDM4EHTR1A
Toluene SCHEMBL10589939 0.63 LMNA (0.44) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL9069280 0.63 KDM4E (0.44) SLC6A4SLC6A3SLC6A2KDM4EHTR1A
SCHEMBL960555 0.63 ALDH1A1 (0.63) KDM4EALDH1A1
SCHEMBL31175086 0.63 ALDH1A1 (0.63) KDM4EALDH1A1
M-Xylene SCHEMBL1270856 0.62 ACHE (0.46) ALDH1A1HTR1AADRA1DADRA1A
SCHEMBL845626 0.62 CYP2D6 (0.56) SLC6A4SLC6A2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851887-B1 EPOXY RESIN COMPOSITIONS, PREPREGS, CURED COMPOSITES, AND METHODS OF MAKING THE SAME MINNESOTA MINING & MFG (US) 2003-04-23 EP disclosed
US-6054221-A A FLUORENE AMINE CURATIVE PARTIALLY MELT DISSOLVED AND PARTIALLY DISPERSED AS A SOLID IN AN AROMATIC POLYEPOXIDE; PREPREGS HAVING TACK WITH GOOD SHELF LIFE PROPERTIES; NON-DIFFUSING; COMPARABLE GLASS TRANSITION TEMPERATURES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-04-25 US disclosed
US-6007917-A FOR MAKING LIGHTWEIGHT, HIGH STRENGH AIRCRAFT COMPONENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-12-28 US disclosed
US-5728755-A EXHIBIT TACK AND GOOD SHELF LIFE, LITTLE RESIN MIGRATION AND GLASS TRANSITION TEMPERATURE SIMILAR TO THOSE CURED NEAT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-17 US disclosed