SCHEMBL1607678

SCHEMBL1607678

O=Cc1cc([N+](=O)[O-])c(CO)cc1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.51
ERN1 O75460 5/20 0.47
ALOX15 P16050 2/20 0.45
ALOX12 P18054 1/20 0.45
XDH P47989 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9490282 0.82 SNCA (0.74) SNCAALOX15ALOX12KDM4EALDH1A1
SCHEMBL16838210 0.82 ERN1 (0.56) SNCAERN1ALOX15XDHALDH5A1
SCHEMBL1607530 0.80 ERN1 (0.55) ERN1ALOX15XDHALDH5A1ABAT
SCHEMBL12957858 0.78 ERN1 (0.42) ERN1
SCHEMBL12419056 0.77 ALDH1A1 (0.50) SNCAERN1ALOX15XDHALDH5A1
SCHEMBL16838200 0.77 ERN1 (0.55) SNCAERN1ALOX15XDHALDH5A1
SCHEMBL2000779 0.76 ALDH1A1 (0.54) ERN1XDHALDH5A1ABATALDH1A1
SCHEMBL2924691 0.76 ERN1 (0.50) ERN1ALOX15XDHALDH5A1ABAT
SCHEMBL29678067 0.76 SNCA (0.52) SNCAALOX15ALOX12KDM4EALDH1A1
SCHEMBL3961356 0.74 SNCA (0.49) SNCAALOX15ALOX12XDHALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465887-B2 Lower cost reusable polymer binder XEROX CORPORATION (US) 2013-06-18 US disclosed
US-8236466-B2 Photochromic materials incorporated in polymer backbone XEROX CORPORATION (US) 2012-08-07 US disclosed
US-8216765-B2 Reimageable and reusable medium and method of producing and using the reimageable and reusable medium XEROX CORPORATION (US) 2012-07-10 US disclosed
US-20110281482-A1 NOVEL LOWER COST REUSABLE POLYMER BINDER XEROX CORPORATION (US) 2011-11-17 US disclosed
US-20110082035-A1 PHOTOCHROMIC MATERIALS INCORPORATED IN POLYMER BACKBONE XEROX CORPORATION (US) 2011-04-07 US disclosed
US-20100227760-A1 REIMAGEABLE AND REUSABLE MEDIUM AND METHOD OF PRODUCING AND USING THE REIMAGEABLE AND REUSABLE MEDIUM XEROX CORPORATION (US) 2010-09-09 US disclosed