SCHEMBL17020280

SCHEMBL17020280

CCCC(=O)[C@@H](NC)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FFAR3 O14843 3/20 0.35
CTSD P07339 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PSMB5 P28074 1/20 0.32
DPP4 P27487 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
SCHEMBL19291545 0.84 CES2 (0.35) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL12282873 0.81 SMN1; SMN2 (0.32) PLA2G2APLA2G5FFAR3SMN1; SMN2ALDH1A1
SCHEMBL14942955 0.81 SMN1; SMN2 (0.32) PLA2G2APLA2G5FFAR3SMN1; SMN2ALDH1A1
SCHEMBL10140506 0.81 SMN1; SMN2 (0.32) PLA2G2APLA2G5FFAR3SMN1; SMN2ALDH1A1
SCHEMBL19364692 0.75 PLA2G2A (0.37) PLA2G2APLA2G5HDAC3HDAC1HDAC2
SCHEMBL19364746 0.75 PLA2G2A (0.37) PLA2G2APLA2G5HDAC3HDAC1HDAC2
SCHEMBL19485881 0.75 PLA2G2A (0.37) PLA2G2APLA2G5HDAC3HDAC1HDAC2
SCHEMBL17828424 0.74 DPP4 (0.34) DPP4
SCHEMBL20403663 0.74 DPP4 (0.31) DPP4
SCHEMBL23371499 0.74 KISS1R (0.31)

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-2015123679-A1 HYDROPHILIC ANTIBODY-DRUG CONJUGATES SEATTLE GENETICS, INC. (US) 2015-08-20 WO disclosed