SCHEMBL8530632

SCHEMBL8530632

C=CCN(CC=C)C(=O)C(C)=CCCCN

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
F2 P00734 3/20 0.33
KLK1 P06870 3/20 0.33
PRSS1 P07477 3/20 0.33
DPP4 P27487 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
SCHEMBL8600903 0.90 ALDH1A1 (0.37) ALDH1A1F2KLK1PRSS1DPP4
SCHEMBL1043648 0.81 LMNA (0.33)
SCHEMBL42844 0.77 PAOX (0.34)
SCHEMBL135642 0.77 CA12 (0.39) ALDH1A1
SCHEMBL2502252 0.76 PAOX (0.35)
SCHEMBL8604795 0.75 EP300 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL10791001 0.75 PAOX (0.33)
SCHEMBL6455129 0.74 EP300 (0.39) ALDH1A1
SCHEMBL7103312 0.74 EP300 (0.39) ALDH1A1
SCHEMBL7776948 0.74 PAOX (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927022-A2 PERSONAL CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP claimed
US-5804173-A COPOLYMER COMPLEXED WITH FATTY ACID THE PROCTER & GAMBLE COMPANY (US) 1998-09-08 US claimed
WO-1998009608-A2 PERSONAL CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-03-12 WO claimed
US-5510394-A COPOLYMERIZATES OF ETHYLENICALLY POLYMERIZABLE MONOMERS; EFFICIENCY, DURABILITY IONICS INCORPORATED (US) 1996-04-23 US claimed