SCHEMBL17860688

SCHEMBL17860688

CCCC(CC)OC(=O)CCI

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
CYP1A2 P05177 3/20 0.35
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
HSP90AA1 P07900 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
FAAH O00519 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
SCHEMBL17860696 0.92 MAPT (0.44) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL4347723 0.86 ALDH1A1 (0.46) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL17878539 0.81 MAPT (0.42) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL2350829 0.81 MAPK1 (0.42) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL29052077 0.81 MAPT (0.42) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL10897854 0.81 MAPK1 (0.65) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL3793162 0.79 PRKCA (0.46) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL5534325 0.79 PRKCA (0.46) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL18188024 0.79 MAPK1 (0.68) MAPTMAPK1PRKCAPRKCDLMNA
SCHEMBL2574016 0.79 MAPK1 (0.68) MAPTMAPK1PRKCAPRKCDLMNA

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