SCHEMBL17860690

SCHEMBL17860690

CCCC(CC)OC(=O)C(CC)CI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
CA2 P00918 6/20 0.39
CA1 P00915 4/20 0.39
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 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
SCHEMBL17882032 0.88 PRKCA (0.45) PRKCAPRKCDCA2CA1HDAC1
SCHEMBL17860729 0.88 CA2 (0.35) CA2CA1MAPK1TSHRCTSK
SCHEMBL17860703 0.81 PRKCA (0.41) PRKCAPRKCDCA2CA1HDAC1
SCHEMBL12790573 0.80 CA2 (0.48) PRKCAPRKCDCA2CA1HDAC1
SCHEMBL17878560 0.80 PRKCA (0.40) PRKCAPRKCDCA2CA1HDAC1
SCHEMBL9076903 0.79 PRKCA (0.39) PRKCAPRKCDCA2CA1HDAC1
SCHEMBL4106619 0.76 PRKCA (0.45) PRKCAPRKCDCA2CA1HDAC1
SCHEMBL17860697 0.75 CA2 (0.40) PRKCAPRKCDCA2CA1MAPK1
SCHEMBL25275003 0.75 PRKCA (0.44) PRKCAPRKCDCA2CA1HDAC1
SCHEMBL17882022 0.75 PRKCA (0.44) PRKCAPRKCDCA2CA1HDAC1

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