SCHEMBL9502862

SCHEMBL9502862

O=C(OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.68
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.48
CES1 P23141 1/20 0.47
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
GPR35 Q9HC97 1/20 0.45
ALOX5 P09917 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
SCHEMBL9502855 0.89 CES2 (0.58) CES2KMT2AMAPTPOLBTP53
SCHEMBL28469904 0.86 CES2 (0.52) CES2MEN1KMT2AMAPTLMNA
SCHEMBL2289856 0.83 ALDH1A1 (0.57) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL11832564 0.82 CES2 (0.49) CES2MEN1KMT2AMAPTLMNA
SCHEMBL29355334 0.82 CES2 (0.75) CES2MEN1KMT2AMAPTLMNA
SCHEMBL11230405 0.82 CES2 (0.75) CES2MEN1KMT2AMAPTLMNA
SCHEMBL254774 0.81 CES1 (0.70) CES2MEN1KMT2AMAPTLMNA
SCHEMBL10716723 0.81 CES2 (0.48) CES2MEN1KMT2AMAPTLMNA
SCHEMBL2157550 0.81 CES2 (1.00) CES2MEN1KMT2AMAPTLMNA
SCHEMBL27605266 0.80 CES2 (0.72) CES2MEN1KMT2AMAPTLMNA

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
EP-0540653-A1 PROCESS FOR PREPARING DIKETONES AND KETO-ACIDS EASTMAN KODAK COMPANY (US) 1993-05-12 EP disclosed
US-5107029-A PROCESS FOR PREPARING DIKETONES AND KETO-ACIDS EASTMAN KODAK COMPANY (US) 1992-04-21 US disclosed
WO-1992001662-A1 PROCESS FOR PREPARING DIKETONES AND KETO-ACIDS EASTMAN KODAK COMPANY (US) 1992-02-06 WO disclosed
US-4948912-A HALOACETOXYALKYL ETHER SOUTHWEST RESEARCH INSTITUTE (US) 1990-08-14 US disclosed
US-4871837-A DEPROTECTING SILYL-PROTECTED CARBOHYDRATES, AMINO ACIDS, PEPTIDES; LEWIS ACID HYDROLYSIS SYMBICOM AKTIEBOLAG (SE) 1989-10-03 US disclosed
EP-0239194-A2 Methods for preparing hydroxy compounds and intermediates SYMBICOM AB (SE) 1987-09-30 EP disclosed