SCHEMBL4397809

SCHEMBL4397809

CCC(C)CCOC(=O)c1ccc(N(CC)CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 6/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 4/20 0.39
CYP2D6 P10635 2/20 0.39
MAOA P21397 1/20 0.39
HTR3A P46098 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR1 P03372 2/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL23855447 0.82 MAPT (0.60) MAPTHSD17B10MAPK1PKMLMNA
SCHEMBL8377309 0.81 CA12 (0.53) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL3676309 0.80 PKM (0.61) MAPTHSD17B10MAPK1PKMMEN1
SCHEMBL25891800 0.78 LMNA (0.64) MAPTHSD17B10MAPK1PKMKMT2A
SCHEMBL9627498 0.78 LMNA (0.64) MAPTHSD17B10MAPK1PKMKMT2A
SCHEMBL9345538 0.77 ESR1 (0.65) MAPTHSD17B10MAPK1PKMMEN1
SCHEMBL9345519 0.77 ESR1 (0.65) MAPTHSD17B10MAPK1PKMMEN1
SCHEMBL8373779 0.77 MAPT (0.50) MAPTHSD17B10MAPK1MEN1KMT2A
SCHEMBL12756251 0.76 CA12 (0.53) MAPTHSD17B10MAPK1PKMLMNA
SCHEMBL12106085 0.74 MEN1 (0.52) MAPTMAPK1MEN1KMT2ALMNA

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
EP-2447779-A1 Method for preparation of lithographic printing plate Fujifilm Corporation (JP) 2012-05-02 EP disclosed