SCHEMBL30775472

SCHEMBL30775472

O=C(O)c1cc(C(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.58
TSHR P16473 3/20 0.50
LMNA P02545 1/20 0.50
CASP6 P55212 1/20 0.50
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
CES2 O00748 1/20 0.43
GPR35 Q9HC97 2/20 0.42
HCAR3 P49019 1/20 0.42

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
SCHEMBL11317819 0.93 DTYMK (0.56) DTYMKTSHRLMNACASP6CYP3A4
SCHEMBL11241523 0.93 DTYMK (0.56) DTYMKTSHRLMNACASP6CYP3A4
SCHEMBL11697530 0.93 DTYMK (0.60) DTYMKTSHRLMNACASP6CYP3A4
SCHEMBL28196295 0.86 TSHR (0.56) DTYMKTSHRLMNACASP6ALDH1A1
SCHEMBL29596737 0.86 DTYMK (0.50) DTYMKTSHRLMNACASP6CYP3A4
SCHEMBL2977714 0.86 DTYMK (0.50) DTYMKTSHRLMNACASP6CYP3A4
SCHEMBL13948939 0.86 DTYMK (0.50) DTYMKTSHRLMNACASP6CYP3A4
SCHEMBL395696 0.86 TSHR (0.56) DTYMKTSHRLMNACASP6CYP3A4
SCHEMBL14298925 0.85 DTYMK (0.53) DTYMKTSHRCASP6CYP3A4ALDH1A1
SCHEMBL772640 0.83 CASP6 (0.57) DTYMKTSHRLMNACASP6CYP3A4

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
CN-114748420-B Preparation method of amphiphilic polymer micelle with charge self-overturning activation mitochondrial targeting effect 武汉科技大学 2024-03-08 CN disclosed