SCHEMBL8423562

SCHEMBL8423562

COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
ALDH1A1 P00352 6/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CTSV O60911 2/20 0.56
CTSL P07711 2/20 0.56
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.52
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
SORT1 Q99523 1/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL8423567 1.00 MAPT (0.60) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL27629995 0.94 MAPT (0.60) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL30203403 0.92 ALDH1A1 (0.56) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL1403472 0.92 ALDH1A1 (0.56) MAPTALDH1A1CYP3A4ALOX15TDP1
Methane SCHEMBL27588822 0.90 ALDH1A1 (0.54) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL25336874 0.87 ALDH1A1 (0.52) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL16951683 0.87 ALDH1A1 (0.52) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL6592607 0.87 MAPT (0.54) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL9324004 0.87 ALDH1A1 (0.60) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11547738 0.86 ALDH1A1 (0.51) MAPTALDH1A1TDP1CTSVCTSL

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
CN-110950774-B Protein quantitative marking reagent and preparation method and application thereof 北京大学 2021-04-13 CN disclosed
CN-110950774-A Protein quantitative marking reagent and preparation method and application thereof 北京大学 2020-04-03 CN disclosed
CN-100522171-C 1-Benzoylpiperazine derivatives as glycine uptake inhibitors for the treatment of psychosis HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
CN-100443464-C AB type dibasic aminoacid monomer containing hydroxy group and its preparation method UNIV SICHUAN (CN) 2008-12-17 CN disclosed
CN-1878554-A 1-benzoyl-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
CN-1865225-A AB type dibasic aminoacid monomer containing hydroxy group and its preparation method UNIV SICHUAN (CN) 2006-11-22 CN disclosed
US-6005010-A CARDIOVASCULAR DISORDERS, ANTIARRHYTHMIA AGENTS AND ANTIISCHEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed