SCHEMBL530769

SCHEMBL530769

O=C(CCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-])Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.53
▸ RECQL P46063 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL17593078 1.00 RAB9A (0.53) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL4026223 0.98 RAB9A (0.54) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL530770 0.94 ALDH1A1 (0.49) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL17593080 0.94 ALDH1A1 (0.49) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL17593083 0.94 ALDH1A1 (0.49) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL530772 0.94 ALDH1A1 (0.49) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL3663773 0.93 GAA (0.60) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL2535107 0.93 GAA (0.60) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL11622337 0.93 GAA (0.60) RAB9ARECQLNPC1ALDH1A1L3MBTL1
SCHEMBL1918538 0.93 GAA (0.60) RAB9ARECQLNPC1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016040814-A2 DISULFIDE POLYMERS AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-03-17 — — WO disclosed
WO-2013033683-A2 POLY(ESTER AMIDE)S AND POLY(ESTER ETHER AMIDE)S WITH ALIPHATIC POLYESTERS, METHOD OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY (US) 2013-03-07 — — WO disclosed
EP-2413909-A1 MULTIAMINO ACID-BASED POLY (ESTER AMIDE)S Cornell University (US) 2012-02-08 — — EP disclosed
WO-2011008545-A2 POLY(ESTER ETHER AMIDE)S AND USES THEREOF CORNELL RESEARCH FOUNDATION, INC. (US) 2011-01-20 — — WO disclosed
WO-2010114601-A1 MULTIAMINO ACID-BASED POLY (ESTER AMIDE)S CORNELL UNIVERSITY (US) 2010-10-07 — — WO disclosed
EP-1846476-A1 POLYMERS CONTAINING POLY(HYDROXYALKANOATES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME Abbott Cardiovascular Systems, Inc. (US) 2007-10-24 — — EP disclosed
WO-2006073631-A1 POLYMERS CONTAINING POLY(HYDROXYALKANOATES) AND AGENTS FOR USE WITH MEDICAL ARTICLES AND METHODS OF FABRICATING THE SAME ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2006-07-13 — — WO disclosed
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