SCHEMBL28064855

SCHEMBL28064855

CCNC(=O)C(C)=C(C)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.33
FAAH O00519 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9069848 1.00 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16478396 0.81 MMP1 (0.40) MMP1MMP2MMP3MMP9KMT2A
SCHEMBL24995587 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13130711 0.79 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6448028 0.77 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL2047657 0.77 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL127474 0.75 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16471409 0.75 BCHE (0.33)
SCHEMBL3060269 0.74 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16626 0.73

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
CN-105451746-A Compositions comprising crosslinked cationically binding polymers RELYPSA INC 2016-03-30 CN disclosed