SCHEMBL9257796

SCHEMBL9257796

CC(C)(C)NC(=O)OCC(C)(C)S(=O)(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
FNTA P49354 8/20 0.36
FNTB P49356 8/20 0.36
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9259169 0.87 MAPT (0.44) MAPTGABBR2GABBR1MEN1LMNA
SCHEMBL9263580 0.87 MAPT (0.40) MAPTMEN1LMNAKMT2AALDH1A1
Methyl Alcohol SCHEMBL9254484 0.84 MAPT (0.45) MAPTGABBR2GABBR1MEN1KMT2A
SCHEMBL9263736 0.83 MAPK1 (0.46) MAPTGABBR2GABBR1LMNAKMT2A
SCHEMBL9257787 0.77 CYP1A2 (0.43) MAPTALDH1A1POLBCYP1A2
SCHEMBL7655013 0.77 MAPT (0.55) MAPTGABBR2GABBR1MEN1LMNA
SCHEMBL9263236 0.76 CYP3A4 (0.42) MEN1KMT2AALDH1A1ATM
SCHEMBL9261597 0.72 GABBR2 (0.51) MAPTGABBR2GABBR1MEN1LMNA
Methyl Alcohol SCHEMBL9267439 0.72 ALDH1A1 (0.45) LMNAALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL9264723 0.71 TDP1 (0.46) MAPTLMNAKMT2AALDH1A1L3MBTL1

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
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed