SCHEMBL19459869

SCHEMBL19459869

CCCCCCC(=O)C(=O)NC(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.67
PLA2G5 P39877 3/20 0.67
MEN1 O00255 1/20 0.66
FAAH O00519 1/20 0.66
MAPK1 P28482 1/20 0.66
KMT2A Q03164 1/20 0.66
CES2 O00748 5/20 0.58
CES1 P23141 4/20 0.58
EPHX1 P07099 1/20 0.52
PLA2G4A P47712 1/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL2162603 0.83 CES2 (0.50) PLA2G2APLA2G5MEN1FAAHMAPK1
SCHEMBL29702819 0.81 MEN1 (0.61) PLA2G2APLA2G5MEN1FAAHMAPK1
SCHEMBL29948915 0.80 PLA2G2A (1.00) PLA2G2APLA2G5MEN1FAAHMAPK1
SCHEMBL30798618 0.80 PLA2G2A (1.00) PLA2G2APLA2G5MEN1FAAHMAPK1
SCHEMBL277126 0.79 FAAH (1.00) MEN1FAAHMAPK1KMT2ACES2
Hexadecanoic Acid Isopropylamide SCHEMBL1457147 0.79 FAAH (1.00) MEN1FAAHMAPK1KMT2ACES2
SCHEMBL19557778 0.79 FAAH (1.00) MEN1FAAHMAPK1KMT2ACES2
SCHEMBL12459875 0.79 FAAH (1.00) MEN1FAAHMAPK1KMT2ACES2
SCHEMBL4023787 0.79 FAAH (1.00) MEN1FAAHMAPK1KMT2ACES2
SCHEMBL12377250 0.79 FAAH (1.00) MEN1FAAHMAPK1KMT2ACES2

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
US-9951058-B2 Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) 2018-04-24 US disclosed
US-9790197-B2 Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) 2017-10-17 US disclosed