SCHEMBL3533309

SCHEMBL3533309

O=C(O)CCc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GRM4 Q14833 1/20 0.48
FFAR1 O14842 3/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL29999641 1.00 POLB (0.51) POLBMAPTMAPK1NPSR1ALDH1A1
SCHEMBL11009236 0.89 IAPP (0.53) POLBMAPTMAPK1NPSR1ALDH1A1
SCHEMBL11002820 0.86 MAPK1 (0.60) POLBMAPTMAPK1NPSR1ALDH1A1
SCHEMBL9375548 0.86 POLB (0.50) POLBMAPTMAPK1NPSR1ALDH1A1
SCHEMBL2710180 0.83 MAPT (0.59) POLBMAPTMAPK1NPSR1ALDH1A1
SCHEMBL231627 0.83 MAPT (0.59) POLBMAPTMAPK1NPSR1ALDH1A1
SCHEMBL8781834 0.83 LMNA (0.55) POLBMAPTALDH1A1TSHRALOX15
SCHEMBL8781357 0.83 VCAM1 (0.53) POLBMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5484599 0.83 LMNA (0.56) MAPTALDH1A1SMN1; SMN2FFAR1LMNA
SCHEMBL5416433 0.82 POLB (0.50) POLBMAPTMAPK1NPSR1ALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062440-A1 Process for preparing phenylalkanoic acids and derivatives of benzoxazole therefrom ELI LILLY AND COMPANY (US) 1982-10-13 EP claimed
EP-4346810-A1 COMPOSITIONS FOR REGULATING HOMEOSTASIS OF CORTISOL AND IMPROVING SLEEP QUALITY AND METHODS OF USE AND PRODUCTION THEREOF Unigen, Inc. (US) 2024-04-10 EP disclosed
CN-117794534-A Compositions for modulating cortisol homeostasis and improving sleep quality and methods of use and preparation thereof 尤尼根公司 2024-03-29 CN disclosed
CN-117024371-A Compound with function of reversing PD-1 drug resistance and application thereof 中国人民解放军海军军医大学 2023-11-10 CN disclosed
WO-2022256624-A1 COMPOSITIONS FOR REGULATING HOMEOSTASIS OF CORTISOL AND IMPROVING SLEEP QUALITY AND METHODS OF USE AND PRODUCTION THEREOF UNIGEN, INC. (US) 2022-12-08 WO disclosed
US-20220387366-A1 Compositions for Regulating Homeostasis of Cortisol and Improving Sleep Quality and Methods of Use and Production Thereof UNIGEN, INC. (US) 2022-12-08 US disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-10124312-B2 Method for direct photopatterning of molecules on surfaces THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-11-13 US disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP disclosed
CN-1391562-A Quinazoline derivatives as medicaments ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2002041885-A2 TREATMENT OF INFLAMMATION AND ASSOCIATED COMPLICATIONS USING PSEUDOHALIDES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-05-30 WO disclosed
EP-0786457-B1 AZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2002-05-29 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
US-5981559-A USEFUL IN PREVENTING OR TREATING ALLERGIC DISEASES, ISCHEMIC HEART DISEASES OR ISCHEMIC BRAIN DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
CN-1160397-A Azole deriv. YAMANOUCHI PHARMA CO LTD (JP) 1997-09-24 CN disclosed
EP-0786457-A1 AZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-30 EP disclosed
EP-0062440-A1 Process for preparing phenylalkanoic acids and derivatives of benzoxazole therefrom ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed