SCHEMBL11119792

SCHEMBL11119792

CN=C1C=C(C)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL9317312 0.84 TDP1 (0.43) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL11152658 0.80 TDP1 (0.41) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL11217086 0.80 TDP1 (0.41) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL11152660 0.80 TDP1 (0.41) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL7660650 0.77 TDP1 (0.39) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL7660645 0.77 TDP1 (0.39) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL9765865 0.72 TDP1 (0.46) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL11120044 0.71 TDP1 (0.36) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL11120046 0.71 TDP1 (0.36) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL11696161 0.70 MAPT (0.57) TDP1MAPTMAPK1L3MBTL1ALDH1A1

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-0123996-A1 N-cyclohexadienyl-chloracetamides BAYER AG (DE) 1984-11-07 EP disclosed