SCHEMBL7665015

SCHEMBL7665015

CCOC(=O)C(CO[N+](=O)[O-])(CO[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FBP1 P09467 5/20 0.35
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL7669432 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AFBP1PKM
SCHEMBL2014486 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AFBP1PKM
SCHEMBL7772642 0.80 ALDH1A1 (0.48) ALDH1A1
SCHEMBL7658497 0.73 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNA
SCHEMBL17674102 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AFBP1PKM
SCHEMBL7670645 0.71 ALDH1A1 (0.52) ALDH1A1
SCHEMBL5422131 0.71 MEN1 (0.43) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL7774826 0.70 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL2353115 0.70 MEN1 (0.61) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL8412595 0.69 FBP1 (0.41) ALDH1A1MEN1KMT2AFBP1PKM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365611-B1 HYDROPHILIC NITRATE VASODILATORS ISIS PHARMA GMBH (DE) 2002-04-02 US disclosed
EP-1087926-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS Alpharma-Isis GmbH & Co. KG (DE) 2001-04-04 EP disclosed
US-6180664-B1 CARDIOVASCUALR DISORDERS; IMPOTENCY ISIS PHARMA GMBH (DE) 2001-01-30 US disclosed
EP-1009730-A1 NEW PENTAERYTHRITOL DERIVATIVES, THEIR PRODUCTION AND USE AND INTERMEDIATES FOR THEIR SYNTHESIS ISIS PHARMA GmbH (DE) 2000-06-21 EP disclosed
EP-0988282-A2 NOVEL PENTAERYTHRITE DERIVATIVES, THE PRODUCTION AND USE THEREOF AND INTERMEDIATE PRODUCTS FOR THE SYNTHESIS OF THE SAME ISIS PHARMA GMBH (DE) 2000-03-29 EP disclosed
WO-1999067430-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS ALPHARMA-ISIS GMBH & CO. KG (DE) 1999-12-29 WO disclosed
WO-1998056759-A2 NOVEL PENTAERYTHRITE DERIVATIVES, THE PRODUCTION AND USE THEREOF AND INTERMEDIATE PRODUCTS FOR THE SYNTHESIS OF THE SAME ISIS PHARMA GMBH (DE) 1998-12-17 WO disclosed
WO-1998015521-A1 NEW PENTAERYTHRITOL DERIVATIVES, THEIR PRODUCTION AND USE AND INTERMEDIATES FOR THEIR SYNTHESIS ISIS PHARMA GMBH (DE) 1998-04-16 WO disclosed