SCHEMBL9533063

SCHEMBL9533063

C#CC(C)(O)c1ccc(N(CC)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
PSMD14 O00487 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR1H2 P55055 7/20 0.41
NR1H3 Q13133 7/20 0.41
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 2/20 0.38
MAPT P10636 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
SCHEMBL7124946 0.84 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL17210661 0.80 MEN1 (0.39) ALDH1A1TSHRCYP3A4TDP1NR1H2
SCHEMBL15984367 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL1793818 0.78 NR1H2 (0.48) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL12374438 0.77 SLC2A1 (0.58) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL31493129 0.76 NR1H2 (0.46) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL6278267 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL4400877 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL5494992 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4
SCHEMBL11476112 0.72 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRPSMD14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250193-B1 Photoreactive lenses MARCONI GEC LTD (GB) 1993-10-27 EP disclosed
EP-0250193-A2 Photoreactive lenses GEC-MARCONI LIMITED (GB) 1987-12-23 EP disclosed