SCHEMBL9078945

SCHEMBL9078945

CC(C)(C)OC(=O)CCc1ccc(-c2nnn(C(C)(C)C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36

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
SCHEMBL9078546 0.85 SMN1; SMN2 (0.50) AOC3TSHRL3MBTL1MAPK1HPGD
SCHEMBL9079380 0.83 CNR2 (0.40) HRH3NR1H2
SCHEMBL9079241 0.80 AOC3 (0.41) AOC3TSHRL3MBTL1MAPK1HPGD
Tetrazole SCHEMBL9079231 0.77 POLB (0.41) AOC3TSHRL3MBTL1MAPK1HPGD
SCHEMBL7258758 0.77 SMN1; SMN2 (0.52) AOC3TSHRL3MBTL1MAPK1HPGD
SCHEMBL10982252 0.77 CYP4F2 (0.50) ALDH1A1HRH3NR1H2NR1H3
SCHEMBL22384139 0.73 TSHR (0.39) TSHRHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL10593325 0.73 MAPK1 (0.57) AOC3TSHRL3MBTL1MAPK1HPGD
SCHEMBL9076427 0.73 AOC3 (0.44) AOC3TSHRL3MBTL1MAPK1HPGD
SCHEMBL557206 0.73 RXRA (0.59) L3MBTL1HRH3LMNANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508437-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-04-16 US disclosed
US-5296608-A Intermediates for analogs of tyrosine sulfate or tyrosine phosphate containing peptides HOFFMAN-LA ROCHE INC. (US) 1994-03-22 US disclosed
US-5182263-A Appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1993-01-26 US disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP disclosed