SCHEMBL3255281

SCHEMBL3255281

Cn1cc(OC(=O)O)c(C=O)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL3252799 0.83 KDM4E (0.36) NPSR1ALDH1A1MAPTKMT2A
SCHEMBL31728856 0.78 ERN1 (0.38) ALDH1A1MAPTKMT2APDE10A
SCHEMBL2901127 0.77 RAB9A (0.40) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL5983691 0.75 PDE10A (0.31) NPSR1KMT2APDE10A
SCHEMBL2900850 0.74 KMT2A (0.38) ALDH1A1NPC1RAB9AKMT2APDE10A
SCHEMBL3255276 0.73 L3MBTL1 (0.36) NPSR1ALDH1A1NPC1NFKB1RAB9A
SCHEMBL1136291 0.71 GAA (0.31)
SCHEMBL16105746 0.71 GAA (0.34) RAB9A
SCHEMBL1406152 0.71 GAA (0.49) ALDH1A1NPC1KMT2A
SCHEMBL3258070 0.71 PDE10A (0.32) KMT2APDE10A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678142-B1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-10-01 EP disclosed
EP-2192115-B1 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-1678141-B1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
EP-1678142-A1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS Bayer CropScience AG (DE) 2006-07-12 EP disclosed
EP-1678141-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042493-A1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2005042492-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed