SCHEMBL5315735

SCHEMBL5315735

O=C(CF)NCCCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.51
PADI1 Q9ULC6 3/20 0.51
PADI4 Q9UM07 3/20 0.51
PADI2 Q9Y2J8 3/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
FOLH1 Q04609 4/20 0.50
ALB P02768 3/20 0.50
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
C3AR1 Q16581 2/20 0.46
PADI6 Q6TGC4 1/20 0.45
PADI3 Q9ULW8 1/20 0.45
ACE P12821 2/20 0.45

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
SCHEMBL13969386 0.91 ALB (0.53) PDE4APADI1PADI4PADI2PDE4B
SCHEMBL1981102 0.90 PADI4 (0.65) PDE4APADI1PADI4PADI2PDE4B
SCHEMBL10801725 0.87 FOLH1 (0.59) FOLH1
SCHEMBL8975695 0.87 FOLH1 (0.59) FOLH1
SCHEMBL15231556 0.83 C3AR1 (0.60) PDE4APADI1PADI4PADI2PDE4B
SCHEMBL11544593 0.83 FOLH1 (0.60) FOLH1
SCHEMBL10801036 0.83 FOLH1 (0.60) FOLH1
SCHEMBL11576579 0.82 FOLH1 (0.60) FOLH1
SCHEMBL1983969 0.81 FOLH1 (0.47) PDE4APADI1PADI4PADI2PDE4B
SCHEMBL188590 0.81 C3AR1 (0.52) PDE4APADI1PADI4PADI2PDE4B

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
WO-2007056389-A2 SYNTHESIS AND USE OF NOVEL INHIBITORS AND INACTIVATORS OF PROTEIN ARGININE DEIMINASES UNIVERSITY OF SOUTH CAROLINA (US) 2007-05-18 WO disclosed