Sugi Predict

Sugi Predict / Compounds / SCHEMBL16660269

SCHEMBL16660269

SCHEMBL16660269

CCCN(CCN)CCN(CCN(CCO)CCN(CCC)CCO)CCN(CCO)CCN(CCN(C)CCN)CCN(CCN(CCC)CCN(CCN)CCN)CCN(CCO)CCN(CCN)CCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CHRM2 P08172 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ LCK P06239 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
SCHEMBL18912887 0.90 CHRM2 (0.37) CHRM2LCK
SCHEMBL18067187 0.90 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL442289 0.88 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL8345030 0.88 CHRM2 (0.39) CHRM2LCK
SCHEMBL27104584 0.83 MAPT (0.39) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL18179595 0.83 CHRM2 (0.39) CHRM2LCK
SCHEMBL14024315 0.81 MAPT (0.38) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL7518148 0.81 CHRM2 (0.43) CHRM2MAPTLCK
SCHEMBL27105042 0.79 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL14285990 0.79 LCK (0.34) CHRM2LCK

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
US-20150111807-A1 LIQUID LAUNDRY COMPOSITION COMPRISING AN ALKOXYLATED POLYMER AND A SHADING DYE THE PROCTER & GAMBLE COMPANY 2015-04-23 — — US disclosed