SCHEMBL9746112

SCHEMBL9746112

O=C(O)c1ccc(C(=O)O)c(-c2ccccc2[N+](=O)[O-])c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 1/20 0.53
DDX3X O00571 1/20 0.49
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
DTYMK P23919 1/20 0.47
PPIA P62937 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
EIF4E P06730 1/20 0.46
S100A4 P26447 2/20 0.46
PTPRC P08575 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CTSD P07339 1/20 0.45

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
SCHEMBL9746118 1.00 ALDH1A1 (0.56) ALDH1A1TDP1TSHRDDX3XKMT2A
SCHEMBL15741931 0.84 TSHR (0.53) ALDH1A1TDP1TSHRDDX3XKMT2A
SCHEMBL4439669 0.84 TSHR (0.59) ALDH1A1TDP1TSHRDDX3XKMT2A
SCHEMBL29120749 0.82 MAPT (0.57) ALDH1A1TDP1TSHRDDX3XKMT2A
SCHEMBL29471725 0.79 TSHR (0.68) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL8610738 0.79 TSHR (0.68) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL3377807 0.79 CASP6 (0.54) ALDH1A1TDP1TSHRMAPTLMNA
SCHEMBL2013486 0.79 TSHR (0.62) ALDH1A1TDP1TSHRDDX3XMAPT
SCHEMBL30727560 0.79 TSHR (0.67) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL29696138 0.79 TSHR (0.67) ALDH1A1TDP1TSHRKMT2AMAPT

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-5110869-A Block polymerization, endcapping, coupling, chain extension E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-05 US disclosed
EP-0272285-A4 ACYLATION AND SULFONATION OF SILYLKETENE ACETALS. DU PONT (US) 1990-04-10 EP disclosed
EP-0272285-A1 ACYLATION AND SULFONATION OF SILYLKETENE ACETALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-29 EP disclosed
WO-1987007265-A1 ACYLATION AND SULFONATION OF SILYLKETENE ACETALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-03 WO disclosed