SCHEMBL6364505

SCHEMBL6364505

CCNC(=O)C(C)=C(N)CC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
KMT2A Q03164 2/20 0.32
MCL1 Q07820 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
FAAH O00519 1/20 0.30
MEN1 O00255 1/20 0.30
PLAAT3 P53816 1/20 0.30
PLAAT5 Q96KN8 1/20 0.30
PLAAT2 Q9NWW9 1/20 0.30
PLAAT4 Q9UL19 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
SCHEMBL127474 0.81 MMP1 (0.36) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL5693468 0.79
Chloromethane SCHEMBL3886401 0.77 PLAAT3 (0.33) MMP1MMP2MMP3MMP9MMP8
SCHEMBL127855 0.77 MMP1 (0.33) MMP1MMP2MMP3MMP9MMP8
SCHEMBL13130711 0.75 MMP1 (0.39) ALDH1A1TDP1MMP1MMP2MMP3
Sulfuric Acid SCHEMBL22730070 0.74 MMP1 (0.31) MMP1MMP2MMP3MMP9MMP8
SCHEMBL2047657 0.73 MMP1 (0.37) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL6448028 0.73 MMP1 (0.37) ALDH1A1TDP1MMP1MMP2MMP3
Ethyl Chloride SCHEMBL3870931 0.72 PLAAT3 (0.31) MMP1MMP2MMP3MMP9MMP8
SCHEMBL431531 0.72

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
US-20050215756-A1 Basic polymer obtained by hydrogenation STOCKHAUSEN GMBH (DE) 2005-09-29 US disclosed