SCHEMBL6661756

SCHEMBL6661756

CCN(CC)CCCCNCCCCCNCCCCN(CC)CC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.62
CHRM2 P08172 1/20 0.49
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CACNA2D1 P54289 1/20 0.40
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM1A O60341 2/20 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
SCHEMBL6656872 1.00 PAOX (0.62) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL755265 1.00 PAOX (0.62) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL756164 1.00 PAOX (0.62) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL6656746 0.97 PAOX (0.59) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL759447 0.97 PAOX (0.59) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL14943786 0.95 PAOX (0.62) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL4870240 0.93 TSHR (0.59) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL11565970 0.93 TSHR (0.59) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL11828086 0.90 PAOX (0.53) PAOXCHRM2ALDH1A1TSHRCYP2C19
SCHEMBL27550823 0.90 PAOX (0.53) PAOXCHRM2ALDH1A1TSHRCYP2C19

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