SCHEMBL17844251

SCHEMBL17844251

CCCCn1sc(-c2ccccc2)c(NC2CCC(O)CC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
PDE4B Q07343 2/20 0.37
PDE7A Q13946 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MERTK Q12866 6/20 0.36
TYRO3 Q06418 5/20 0.36
FLT3 P36888 4/20 0.36
GAS6 Q14393 3/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
AXL P30530 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2B P29275 1/20 0.34

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
SCHEMBL17844156 0.86 ADORA2B (0.36) PDE4BPDE7AALDH1A1ADORA2B
SCHEMBL17844161 0.78 FAAH (0.44) FAAHMGLLALDH1A1KDM4EMAPT
SCHEMBL17844241 0.77 MAPK10 (0.42) PDE4BPDE7AMAPTMEN1KMT2A
SCHEMBL5184388 0.77 FAAH (0.47) FAAHMGLLALDH1A1KDM4EMAPT
SCHEMBL5186011 0.75 ALDH1A1 (0.48) FAAHMGLLPDE4BALDH1A1CNR2
SCHEMBL17844174 0.74 FAAH (0.40) FAAHMGLLALDH1A1KDM4EMAPT
SCHEMBL5320278 0.73 ALDH1A1 (0.49) FAAHMGLLALDH1A1KDM4EMAPT
SCHEMBL17844168 0.73 MAPK1 (0.37) PDE4BPDE7AALDH1A1POLBADORA2B
SCHEMBL17844198 0.73 MEN1 (0.48) FAAHMGLLALDH1A1MAPTMEN1
SCHEMBL17844070 0.73 FAAH (0.40) FAAHMGLLALDH1A1MEN1KMT2A

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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed