SCHEMBL17830880

SCHEMBL17830880

C=CCCCCCCCCC(=O)OC(CC)CC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
ABCC4 O15439 1/20 0.48
PRKCA P17252 3/20 0.48
PRKCE Q02156 2/20 0.48
PRKCQ Q04759 2/20 0.48
PRKCD Q05655 2/20 0.48
TSHR P16473 1/20 0.45
FAAH O00519 1/20 0.44
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
LPAR1 Q92633 1/20 0.43

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
SCHEMBL17065860 0.88 MAPT (0.54) LMNAALDH1A1MAPTMAPK1PRKCA
SCHEMBL25170430 0.88 MAPT (0.54) LMNAALDH1A1MAPTMAPK1PRKCA
SCHEMBL249092 0.85 MAPK1 (0.64) LMNAALDH1A1MAPTMAPK1PRKCA
SCHEMBL250209 0.85 MAPK1 (0.64) LMNAALDH1A1MAPTMAPK1PRKCA
SCHEMBL7783714 0.85 MAPK1 (0.64) LMNAALDH1A1MAPTMAPK1PRKCA
SCHEMBL12544613 0.85 LMNA (0.59) LMNAALDH1A1MAPTMAPK1ABCC4
SCHEMBL12544583 0.85 LMNA (0.59) LMNAALDH1A1MAPTMAPK1ABCC4
SCHEMBL12544515 0.85 LMNA (0.59) LMNAALDH1A1MAPTMAPK1ABCC4
SCHEMBL2679664 0.84 MAPT (0.61) LMNAALDH1A1MAPTMAPK1ABCC4
SCHEMBL13346199 0.84 MAPT (0.61) LMNAALDH1A1MAPTMAPK1ABCC4

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-2016092202-A1 CONTACT ANTISEPTIC COMPOSITION AND NON-THERAPEUTIC METHOD FOR ANTISEPTIC TREATMENT BY CONTACT AGRONUTRITION (FR) 2016-06-16 WO disclosed