SCHEMBL17860698

SCHEMBL17860698

CCCC(OC(=O)CCI)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17860699 0.89 LMNA (0.44) LMNAMAPTMAPK1ALDH1A1TDP1
SCHEMBL4757907 0.88 LMNA (0.44) LMNAMAPTMAPK1ALDH1A1CHRM1
SCHEMBL17882020 0.86 ALDH1A1 (0.44) LMNAMAPTMAPK1ALDH1A1CHRM1
SCHEMBL17860691 0.85 LMNA (0.37) LMNAMAPTMAPK1ALDH1A1
SCHEMBL17878555 0.83 LMNA (0.40) LMNAMAPTMAPK1ALDH1A1CHRM1
SCHEMBL17860717 0.81 LMNA (0.41) LMNAMAPTMAPK1ALDH1A1CHRM1
SCHEMBL17860696 0.79 MAPT (0.44) LMNAMAPTMAPK1ALDH1A1
SCHEMBL23059638 0.77 LMNA (0.40) LMNAMAPTMAPK1ALDH1A1TDP1
SCHEMBL14991338 0.76 CHRM1 (0.37) LMNAALDH1A1CHRM1AKR1A1CHRM3
SCHEMBL17860688 0.76 MAPT (0.42) LMNAMAPTMAPK1ALDH1A1

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