SCHEMBL17860717

SCHEMBL17860717

CCCC(C)OC(=O)CCI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
FAAH O00519 5/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
EPHX2 P34913 1/20 0.36
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17860689 0.89 FAAH (0.49) LMNAFAAHCNR1CNR2EPHX2
SCHEMBL7696578 0.87 LMNA (0.47) LMNAFAAHCNR1CNR2EPHX2
SCHEMBL9447620 0.85 ALDH1A1 (0.48) LMNAFAAHCNR1CNR2EPHX2
SCHEMBL3099673 0.85 ALDH1A1 (0.48) LMNAFAAHCNR1CNR2EPHX2
SCHEMBL10555563 0.83 LMNA (0.53) LMNAFAAHCNR1CNR2EPHX2
SCHEMBL17860726 0.83 LMNA (0.39) LMNAFAAHCNR1CNR2EPHX2
SCHEMBL5716582 0.83 LMNA (0.59) LMNAFAAHCNR1CNR2EPHX2
SCHEMBL19470768 0.82 LMNA (0.62) LMNAFAAHCNR1CNR2EPHX2
SCHEMBL17860696 0.82 MAPT (0.44) LMNAFAAHCNR1CNR2MAPT
SCHEMBL5716076 0.82 LMNA (0.62) LMNAFAAHCNR1CNR2EPHX2

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-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed