SCHEMBL17860699

SCHEMBL17860699

CCCCC(OC(=O)CCI)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 2/20 0.36
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
FAAH O00519 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
EPHX2 P34913 1/20 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
SCHEMBL17860698 0.89 LMNA (0.39) LMNAMAPTMAPK1ALDH1A1TDP1
SCHEMBL17882025 0.87 LMNA (0.48) LMNAMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL17878557 0.84 LMNA (0.46) LMNAMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL29131231 0.84 LMNA (0.65) LMNAMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL5962581 0.82 LMNA (0.56) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL5962564 0.82 LMNA (0.56) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL17860689 0.82 FAAH (0.49) LMNAMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL17860691 0.82 LMNA (0.37) LMNAMAPTMAPK1ALDH1A1
SCHEMBL28676563 0.81 LMNA (0.65) LMNAMAPTMAPK1ALDH1A1TSHR
SCHEMBL29577585 0.81 LMNA (0.65) LMNAMAPTMAPK1ALDH1A1TSHR

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