SCHEMBL11109448

SCHEMBL11109448

COc1cc(OCC(=O)O)cc([N+](=O)[O-])c1C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ERN1 O75460 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3453355 0.85 LMNA (0.52) KDM4EALOX15HSD17B10MEN1KMT2A
SCHEMBL3842938 0.82 ERN1 (0.56) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL3314184 0.79 LMNA (0.51) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5556434 0.76 LMNA (0.57) KDM4EMEN1KMT2AERN1LMNA
SCHEMBL2559051 0.75 MAPT (0.71) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL7285643 0.74 PTGDR2 (0.50) ALDH1A1ALOX15HSD17B10LMNAPOLB
SCHEMBL213877 0.73 PTPN7 (0.51) MAPTALDH1A1ALOX15HSD17B10MEN1
SCHEMBL2698893 0.73 MEN1 (0.61) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20786937 0.72 ALDH1A1 (0.53) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL31429026 0.72 ALDH1A1 (0.54) ALDH1A1CYP3A4MEN1KMT2AERN1

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
EP-0103197-A1 Acidic O-nitroaromatics as photoinhibitors of polymerization in positive working films E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-21 EP disclosed