SCHEMBL28400166

SCHEMBL28400166

CCCC(CC)=C(C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
FFAR3 O14843 3/20 0.36
CTSD P07339 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
FAAH O00519 2/20 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
SCHEMBL4533634 0.90 CES1 (0.41) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL28784878 0.86 CES1 (0.43) ALDH1A1CES1CES2TDP1TSHR
SCHEMBL14948 0.85 TDP1 (0.42) ALDH1A1FFAR3TDP1LMNAALOX15
SCHEMBL4410241 0.84 CES1 (0.36) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL1427053 0.84 CES1 (0.36) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL6891208 0.78 FFAR3 (0.43) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL1759141 0.78 FFAR3 (0.43) ALDH1A1CES1CES2HDAC3HDAC1
Phosphoric Acid SCHEMBL28921694 0.76 TDP1 (0.35) ALDH1A1TDP1LMNAALOX15BLM
SCHEMBL2469796 0.76 CES1 (0.46) ALDH1A1CES1CES2TDP1TSHR
SCHEMBL3745623 0.76 ALDH1A1 (0.39) ALDH1A1CES1CES2HDAC3HDAC1

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-111033259-A Substrate for biochip, method for producing biochip, and method for storing biochip 三菱瓦斯化学株式会社 2020-04-17 CN disclosed