SCHEMBL6843426

SCHEMBL6843426

COC(=O)COc1cc(OCC(=O)OC)c([N+](=O)[O-])c(OCC(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
LMNA P02545 2/20 0.47
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL14626731 0.86 ALDH1A1 (0.49) PTGS2ALDH1A1MEN1KMT2AHPGD
SCHEMBL2434404 0.83 ALDH1A1 (0.48) PTGS2LMNAALDH1A1MEN1KMT2A
SCHEMBL1137355 0.83 PTGS2 (0.49) PTGS2LMNAALDH1A1MEN1KMT2A
SCHEMBL8060294 0.81 PTGS2 (0.61) PTGS2LMNAALDH1A1MEN1KMT2A
SCHEMBL21001729 0.77 LMNA (0.48) PTGS2LMNAALDH1A1MEN1KMT2A
SCHEMBL18721152 0.77 PTGS2 (0.57) PTGS2LMNAALDH1A1MEN1KMT2A
SCHEMBL3313592 0.77 PTGS2 (0.53) PTGS2LMNAALDH1A1MEN1KMT2A
SCHEMBL1571230 0.75 PTGS2 (0.54) PTGS2ALDH1A1MEN1KMT2AGAA
SCHEMBL30596982 0.75 KMT2A (0.47) PTGS2LMNAALDH1A1MEN1KMT2A
SCHEMBL26110946 0.75 KMT2A (0.47) PTGS2LMNAALDH1A1MEN1KMT2A

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
EP-1129861-B1 Image-forming material and planographic printing original plate using same FUJI PHOTO FILM CO LTD (JP) 2004-11-03 EP disclosed
US-6602648-B2 Photosensitivity, antisoilants FUJI PHOTO FILM CO., LTD. (JP) 2003-08-05 US disclosed
US-20020028404-A1 Photosensitivity, antisoilants FUJIFILM CORPORATION (JP) 2002-03-07 US disclosed
EP-1129861-A1 Image-forming material and planographic printing original plate using same FUJI PHOTO FILM CO., LTD. (JP) 2001-09-05 EP disclosed