SCHEMBL8600903

SCHEMBL8600903

C=CCN(CC=C)C(=O)C(C)=CCCN

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
F2 P00734 3/20 0.34
KLK1 P06870 3/20 0.34
PRSS1 P07477 3/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL8530632 0.90 ALDH1A1 (0.39) ALDH1A1F2KLK1PRSS1DPP4
SCHEMBL2506802 0.79 HTT (0.33)
SCHEMBL7098591 0.76 CA12 (0.36) ALDH1A1
SCHEMBL2448142 0.76 ALDH1A1 (0.35) ALDH1A1F2KLK1PRSS1DPP4
SCHEMBL141862 0.75
SCHEMBL7098573 0.74 CA12 (0.40) ALDH1A1
Ethylenediamine SCHEMBL4383697 0.72 ALDH1A1 (0.45) ALDH1A1DPP4
Chloromethane SCHEMBL1537210 0.72
Acrylic Acid SCHEMBL6173644 0.72 LMNA (0.40) ALDH1A1
SCHEMBL7103880 0.71 ZDHHC20 (0.38)

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-5830447-A BLEND OF COPOLYMER AND VOLATILE, HYDROPHOBIC SOLVENT THE PROCTER & GAMBLE COMPANY (US) 1998-11-03 US claimed