SCHEMBL1461897

SCHEMBL1461897

CC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.60
GAA P10253 1/20 0.57
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
HTR2A P28223 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
MGLL Q99685 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 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
SCHEMBL17513779 0.92 GAA (0.53) ELANEGAABCL9CTNNB1HTR2A
SCHEMBL2721445 0.87 GAA (0.54) ELANEGAABCL9CTNNB1HTR2A
Nitrobenzene SCHEMBL7359201 0.86 SMN1; SMN2 (0.50) ELANEGAABCL9CTNNB1HTR2A
SCHEMBL763093 0.86 BCL9 (0.54) ELANEGAABCL9CTNNB1HTR2A
SCHEMBL343250 0.84 GAA (0.51) ELANEGAABCL9CTNNB1HTR2A
SCHEMBL6348996 0.84 BCL9 (0.56) ELANEGAABCL9CTNNB1HTR2A
SCHEMBL903436 0.84 BCL9 (0.52) ELANEGAABCL9CTNNB1HTR2A
SCHEMBL6359040 0.84 BCL9 (0.56) ELANEGAABCL9CTNNB1HTR2A
SCHEMBL5487025 0.84 GAA (0.51) ELANEGAABCL9CTNNB1HTR2A
SCHEMBL7412943 0.84 GAA (0.51) ELANEGAABCL9CTNNB1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462643-A Synthetic method of deuterium or tritium marked docetaxel 无锡贝塔医药科技有限公司 2023-07-21 CN claimed
CN-122070276-A Prodrugs of xanomeline, prodrugs of trospium chloride and methods of using the same 人类生物科学股份有限公司 2026-05-19 CN disclosed
EP-4705289-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF Terran Biosciences Inc. (US) 2026-03-11 EP disclosed
EP-4619048-A1 CYCLEN BASED COMPOUNDS AND THEIR GD(III) COMPLEXES FOR USE AS MULTIMODAL PET/MRI CONTRAST AGENTS Ustav Organicke Chemie a Biochemie AV CR v.v.i. (CZ) 2025-09-24 EP disclosed
CN-116462643-B Synthetic method of deuterium-labeled docetaxel 无锡贝塔医药科技有限公司 2025-04-15 CN disclosed
CN-116462643-B Synthetic method of deuterium-labeled docetaxel 无锡贝塔医药科技有限公司 2025-04-15 CN disclosed
WO-2024226691-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF TERRAN BIOSCIENCES INC. (US) 2024-10-31 WO disclosed
WO-2024120557-A1 CYCLEN BASED COMPOUNDS AND THEIR GD(III) COMPLEXES FOR USE AS MULTIMODAL PET/MRI CONTRAST AGENTS Ustav Organicke Chemie A Biochemie AV CR v.v.i. (CZ) 2024-06-13 WO disclosed
EP-4382136-A1 CYCLEN BASED COMPOUNDS AND THEIR GD(III) COMPLEXES FOR USE AS MULTIMODAL PET/MRI CONTRAST AGENTS Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2024-06-12 EP disclosed
CN-116462643-A Synthetic method of deuterium or tritium marked docetaxel 无锡贝塔医药科技有限公司 2023-07-21 CN disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
US-5539082-A Peptide nucleic acids NIELSEN PETER E (DK) 1996-07-23 US disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
EP-0602069-A4 RETROVIRAL PROTEASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP disclosed
EP-0602069-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-22 EP disclosed
US-4960881-A REACTING AMINO ACID WITH ALPHA-CHLORINATED CARBONATE IN SOLVENT IN PRESENCE OF ACID SCAVENGER SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-10-02 US disclosed
EP-0095294-A1 Deoxyuridine compounds, methods for preparing them and their use in medicine BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed
US-4145337-A SOMATOSTATINS, ANTISECRETORY HOFFMANN-LA ROCHE INC. (US) 1979-03-20 US disclosed
US-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 US disclosed