SCHEMBL8767674

SCHEMBL8767674

CC(C)(C)OC(=O)c1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
GAA P10253 1/20 0.40
NR1H2 P55055 1/20 0.39
F10 P00742 1/20 0.39
NR3C2 P08235 1/20 0.38
DTYMK P23919 1/20 0.38
MET P08581 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 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
SCHEMBL557153 0.84 VCAM1 (0.46) TDP1TSHRALDH1A1CYP3A4MAPK1
SCHEMBL9747677 0.84 EGFR (0.43) TDP1ALDH1A1CYP3A4SIRT6DTYMK
SCHEMBL267231 0.83 GAA (0.58) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL1186362 0.82 TDP1 (0.52) TDP1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL30032292 0.82 MAPT (0.41) TDP1ALDH1A1MAPK1KMT2ASIRT6
SCHEMBL1028481 0.82 TDP1 (0.47) TDP1ALDH1A1SIRT6DTYMKMAPT
SCHEMBL557039 0.81 CASP6 (0.55) TSHRKMT2AGAADTYMKMAPT
SCHEMBL19782588 0.81 TDP1 (0.48) TDP1ALDH1A1RECQLMAPK1KMT2A
SCHEMBL557040 0.81 CASP6 (0.55) TSHRKMT2AGAADTYMKMAPT
SCHEMBL2722007 0.80 VCAM1 (0.56) TDP1ALDH1A1SIRT6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3058999-A None JP disclosed
EP-0513863-B1 Substrates for determination of enzyme activity and intermediates for synthesis of the substrates as well as process for producing the intermediates NITTO BOSEKI CO LTD (JP) 1997-09-03 EP disclosed
EP-0513863-A1 Substrates for determination of enzyme activity and intermediates for synthesis of the substrates as well as process for producing the intermediates NITTO BOSEKI CO., LTD. (JP) 1992-11-19 EP disclosed
US-5115099-A Modified tripeptides as substrates for determination of enzyme activity NITTO BOSEKI CO., LTD. (JP) 1992-05-19 US disclosed
JP-H0358999-A PEPTIDE DERIVATIVE AND DETERMINATION OF ENZYME ACTIVITY USING THE SAME NITTO BOSEKI CO LTD 1991-03-14 JP disclosed
EP-0347734-A2 Substrates for determination of enzyme activity and intermediates for synthesis of the substrates as well as process for producing the intermediates NITTO BOSEKI CO., LTD. (JP) 1989-12-27 EP disclosed
JP-H00358999-A 0001-01-01 JP disclosed