SCHEMBL726729

SCHEMBL726729

C1CCCCCCCN(N2CCCCCCCCCCCC2)CCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
ALDH1A1 P00352 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
KMT2A Q03164 2/20 0.32
F2 P00734 1/20 0.32
TSHR P16473 1/20 0.32
PIN1 Q13526 1/20 0.30
PHGDH O43175 1/20 0.30
ALDH2 P05091 1/20 0.30
FBP1 P09467 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL157428 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL14084740 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL2807354 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL6050831 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL3558104 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL3658220 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL2457046 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL42220 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL6926105 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL28927383 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4763285-B2 2011-08-31 JP claimed
EP-1521781-A2 PREPARATION OF FUNCTIONALIZED ANIONIC POLYMERIZATION INITIATORS Bridgestone Corporation (JP) 2005-04-13 EP claimed
WO-2004007563-A2 PREPARATION OF FUNCTIONALIZED ANIONIC POLYMERIZATION INITIATORS BRIDGESTONE CORPORATION (JP) 2004-01-22 WO claimed