SCHEMBL8969203

SCHEMBL8969203

C=CN(CCCCC)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 4/20 0.44
ZDHHC2 Q9UIJ5 2/20 0.44
FAAH O00519 4/20 0.38
SOAT1 P35610 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.34
EPHX1 P07099 2/20 0.33
DNM1 Q05193 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL28001802 0.98 ZDHHC20 (0.46) ZDHHC20ZDHHC2FAAHSOAT1MEN1
SCHEMBL7686633 0.82 ADH1C (0.40) ZDHHC20ZDHHC2FAAHSOAT1MEN1
SCHEMBL11704289 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2FAAHTP53TSHR
SCHEMBL11311604 0.80 ADH1C (0.43) ZDHHC20ZDHHC2FAAHSOAT1MEN1
SCHEMBL8092281 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2FAAHTSHREPHX1
SCHEMBL11707427 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2FAAHTP53TSHR
SCHEMBL12512731 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2FAAHTSHREPHX1
SCHEMBL1469534 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2FAAHMEN1KMT2A
SCHEMBL8087449 0.78 ZDHHC20 (0.42) ZDHHC20ZDHHC2FAAHTSHREPHX1
SCHEMBL28382625 0.78 ZDHHC20 (0.54) ZDHHC20ZDHHC2FAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569725-A UNSATURATED COMPOUNDS FOR USE IN RADIATION CURABLE COATINGS AIR PRODUCTS AND CHEMICALS, INC. (US) 1996-10-29 US claimed
US-5569725-A UNSATURATED COMPOUNDS FOR USE IN RADIATION CURABLE COATINGS AIR PRODUCTS AND CHEMICALS, INC. (US) 1996-10-29 US disclosed
US-5569725-A UNSATURATED COMPOUNDS FOR USE IN RADIATION CURABLE COATINGS AIR PRODUCTS AND CHEMICALS, INC. (US) 1996-10-29 US disclosed