SCHEMBL17697188

SCHEMBL17697188

NC(=O)CC[C@H](NC(=O)C(F)(F)F)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
KMT2A Q03164 3/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
PADI1 Q9ULC6 5/20 0.33
PADI4 Q9UM07 5/20 0.33
CA2 P00918 4/20 0.33
PADI2 Q9Y2J8 3/20 0.33
CA1 P00915 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PADI3 Q9ULW8 4/20 0.33
BMP1 P13497 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOD1 Q9Y239 1/20 0.32
MEN1 O00255 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
SCHEMBL3142506 0.87 KMT2A (0.47) KMT2AALOX15BLMPMP22CA2
SCHEMBL3142495 0.87 KMT2A (0.47) KMT2AALOX15BLMPMP22CA2
SCHEMBL27540264 0.81 EPHX1 (0.38) KMT2APADI1PADI4CA2PADI2
SCHEMBL16908014 0.81 ECE1 (0.42) KMT2ACA2CA1ALDH1A1POLB
SCHEMBL564162 0.79 EPHX1 (0.43) KMT2APADI1PADI4CA2PADI2
SCHEMBL19579782 0.78 KMT2A (0.41) PTPN1KMT2AALOX15BLMPMP22
SCHEMBL5176089 0.78 KMT2A (0.41) PTPN1KMT2AALOX15BLMPMP22
SCHEMBL10993372 0.77 SMN1; SMN2 (0.35) KMT2AALOX15BLMCA2CA1
SCHEMBL30471284 0.77 EPHX1 (0.36) KMT2APADI1PADI4CA2PADI2
SCHEMBL13299208 0.77 SMN1; SMN2 (0.35) KMT2AALOX15BLMCA2CA1

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-2016059377-A1 PROCESS FOR THE CONJUGATION OF A PEPTIDE OR PROTEIN WITH A REAGENT COMPRISING A LEAVING GROUP INCLUDING A PORTION OF PEG POLYTHERICS LIMITED (GB) 2016-04-21 WO disclosed