SCHEMBL9256503

SCHEMBL9256503

COCCN(CCOC)C(=O)C(C)(C)S(=O)(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
MMP2 P08253 3/20 0.34
MMP3 P08254 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MLYCD O95822 1/20 0.34
LMNA P02545 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
SCHEMBL9266939 0.87 MMP9 (0.38) MAPK1ALDH1A1LMNA
SCHEMBL9256495 0.77 CYP1A2 (0.42)
SCHEMBL9261597 0.76 GABBR2 (0.51) MAPTGABBR2GABBR1KDM4ERECQL
SCHEMBL7655013 0.76 MAPT (0.55) MAPTGABBR2GABBR1FNTAFNTB
SCHEMBL9259383 0.73 MAPT (0.41) MAPTGABBR2GABBR1FNTAFNTB
SCHEMBL9261314 0.71 PTGIR (0.42) MAPTGABBR2GABBR1FNTAFNTB
SCHEMBL9256395 0.71 MAPT (0.47) MAPTGABBR2GABBR1GAAFNTA
SCHEMBL9257535 0.70 MAPT (0.46) MAPTGABBR2GABBR1HPGDKDM4E
SCHEMBL9257785 0.70 ALDH1A1 (0.42) MAPTMAPK1HPGDGAAKDM4E
SCHEMBL21273079 0.70 GABBR2 (0.59) MAPTGABBR2GABBR1HPGDGAA

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