SCHEMBL6656746

SCHEMBL6656746

CCN(CC)CCCCNCCCCNCCCCN(CC)CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.59
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
CHRM2 P08172 1/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
CACNA2D1 P54289 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
KDM1A O60341 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.35
F13A1 P00488 1/20 0.35
CA2 P00918 1/20 0.35
ALOX15 P16050 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 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
SCHEMBL759447 1.00 PAOX (0.59) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL6656872 0.97 PAOX (0.62) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL756164 0.97 PAOX (0.62) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL755265 0.97 PAOX (0.62) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL6661756 0.97 PAOX (0.62) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL14943786 0.97 PAOX (0.62) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL759902 0.92 PAOX (0.61) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL11565970 0.91 TSHR (0.59) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL4870240 0.91 TSHR (0.59) PAOXALDH1A1TSHRCHRM2CYP2C19
SCHEMBL1268894 0.90 CYP2C19 (0.55) PAOXALDH1A1TSHRCHRM2CYP2C19

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