SCHEMBL164758

SCHEMBL164758

C=CCOC(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
ALDH1A1 P00352 6/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.44
CYP3A4 P08684 2/20 0.43
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4A O75164 1/20 0.38

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
SCHEMBL286962 0.88 MAOB (0.56) MAOBALDH1A1HTTTSHRCYP3A4
SCHEMBL29074717 0.82 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4L3MBTL1RAB9A
SCHEMBL7594453 0.81 MAOB (0.50) MAOBALDH1A1HTTTSHRCYP3A4
SCHEMBL10404273 0.81 ALDH1A1 (0.50) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL4441189 0.81 MAOB (0.52) MAOBALDH1A1HTTTSHRCYP3A4
SCHEMBL5932809 0.81 MAOB (0.55) MAOBALDH1A1HTTTSHRCYP3A4
SCHEMBL27687104 0.80 ALDH1A1 (0.53) MAOBALDH1A1HTTTSHRCYP3A4
SCHEMBL531702 0.80 MAOB (0.38) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL6324821 0.79 MAOB (0.54) MAOBALDH1A1HTTTSHRCYP3A4
SCHEMBL10644519 0.79 MAOB (0.51) MAOBALDH1A1HTTTSHRCYP3A4

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

Appears in 2066 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 EP claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
US-12037355-B2 Triterpene saponin analogues ADJUVANCE TECHNOLOGIES, INC. (US) 2024-07-16 US disclosed
CN-118355117-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2024-07-16 CN disclosed
WO-2024147060-A1 NOVEL IONIZABLE LIPID COMPOUNDS FOR NUCLEIC ACID DELIVERY CELON PHARMA S.A. (PL) 2024-07-11 WO disclosed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
EP-4398254-A2 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING Memorial Sloan Kettering Cancer Center (US) 2024-07-10 EP disclosed
WO-2006124902-A2 SYNTHESIS OF SALINOSPORAMIDE A AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-11-23 WO disclosed
WO-2006113615-A2 ANTI-MICROBIAL AGENTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-26 WO disclosed
WO-2006102097-A2 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-28 WO disclosed
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-12-22 US disclosed
EP-0450060-A1 DNA SEQUENCING SRI INTERNATIONAL (US) 1991-10-09 EP disclosed
WO-1991006678-A1 DNA SEQUENCING SRI INTERNATIONAL (US) 1991-05-16 WO disclosed