SCHEMBL6661745

SCHEMBL6661745

CCN(CC)C(C)CCNCCCCCNCCC(C)N(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
PAOX Q6QHF9 1/20 0.34
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 3/20 0.31
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL6656864 1.00 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19CYP1A2PAOX
SCHEMBL6656744 0.98 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19CYP1A2PAOX
SCHEMBL11456596 0.78 ALDH1A1 (0.33) ALDH1A1TSHRCYP2C19PAOXMEN1
SCHEMBL6661804 0.77 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19CYP1A2PAOX
SCHEMBL6662508 0.77 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19CYP1A2PAOX
SCHEMBL6657787 0.74 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19CYP1A2PAOX
SCHEMBL2565897 0.73 OPRM1 (0.33) ALDH1A1CYP1A2
SCHEMBL2565496 0.73 FDPS (0.31) ALDH1A1CYP1A2
SCHEMBL2565949 0.72 FDPS (0.33) ALDH1A1CYP1A2
SCHEMBL14829804 0.71 TSHR (0.43) ALDH1A1TSHRCYP2C19CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 EP disclosed