SCHEMBL28013125

SCHEMBL28013125

CC=C(CCCCCCCC(N)=O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.47
SOAT1 P35610 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.42
CNR1 P21554 1/20 0.35
PAOX Q6QHF9 1/20 0.34
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
ABHD16A O95870 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC22A6 Q4U2R8 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
SCHEMBL27488769 0.93 FAAH (0.39) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL23797404 0.86 FAAH (0.53) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL27624103 0.86 FAAH (0.53) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL4423050 0.86 FAAH (0.53) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL23797403 0.86 FAAH (0.53) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL10937171 0.86 FAAH (0.53) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL27593002 0.86 FAAH (0.53) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL10602979 0.84 FAAH (0.50) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL30685719 0.81 CYP1A2 (0.44) FAAHMEN1CYP1A2KMT2APAOX
SCHEMBL8775347 0.81 CES1 (0.46) FAAHSOAT1MEN1TP53CYP1A2

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-106715573-A Dynamically vulcanized alloys 埃克森美孚化学专利公司 2017-05-24 CN disclosed
CN-101987917-B Conductive polyamide composite composition and fuel transport tube using the same HYUNDAI MOTOR CO LTD 2015-06-17 CN disclosed