SCHEMBL28847191

SCHEMBL28847191

CCCCN(CCCC)C(C)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.42
CA2 P00918 1/20 0.42
EPHX1 P07099 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
ALOX5 P09917 1/20 0.35
TP53 P04637 2/20 0.32
SLC15A1 P46059 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MEN1 O00255 2/20 0.31
FAAH O00519 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 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
SCHEMBL6201946 0.86 FDPS (0.41) CA1CA2EPHX1MMP1MMP2
Stearic Acid SCHEMBL28069036 0.83 GPR84 (0.52) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL1432237 0.81 CA1 (0.41) CA1CA2EPHX1MMP1MMP2
SCHEMBL2828450 0.80 MMP1 (0.36) CA1CA2EPHX1MMP1MMP2
SCHEMBL28856644 0.80 MMP1 (0.42) CA1CA2MMP1MMP2MMP3
SCHEMBL28856645 0.80 MMP1 (0.42) CA1CA2MMP1MMP2MMP3
SCHEMBL354320 0.80 APP (0.35) CA1CA2EPHX1CA12CA9
Palmitic Acid SCHEMBL28958123 0.79 GPR84 (0.55) ALDH1A1MEN1KMT2ALMNACYP1A2
Stearic Acid SCHEMBL28069035 0.79 GPR84 (0.55) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL8833635 0.78 FDPS (0.39) CA1CA2EPHX1CA12CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105745272-B Aqueous emulsion surface treatment agent 大金工业株式会社 2018-07-03 CN disclosed
CN-105764980-B Surface conditioning agent 大金工业株式会社 2017-08-08 CN disclosed