SCHEMBL722860

SCHEMBL722860

CC(CCC(=O)O)C[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
CPA1 P15085 5/20 0.46
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 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
SCHEMBL27597211 0.79 CPA1 (0.37) MEN1LMNABLMHBBKMT2A
SCHEMBL8371859 0.78 CPA1 (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL4919499 0.77 GABRP (0.62) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL11442621 0.76
Hydrochloric Acid SCHEMBL16667716 0.74 GABRP (0.59) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL14360308 0.74 GABRP (0.59) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL3331716 0.74 GABRP (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL2128235 0.74 CPA1 (0.44) HIF1ACPA1
SCHEMBL27597210 0.73 ADRA2A (0.38) BLMCPA1MAPT
SCHEMBL17318330 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-3737362-A1 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER KDAC THERAPEUTICS, INC. (US) 2020-11-18 EP disclosed
CN-109803962-A Modulators of cystic fibrosis transmembrane conductance regulator proteins, pharmaceutical compositions, methods of treatment, and methods for making the modulators 弗特克斯药品有限公司 2019-05-24 CN disclosed
EP-3481830-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF The Broad Institute, Inc. (US) 2019-05-15 EP disclosed
CN-109195996-A Modular synthesis method of N-glycan and array thereof 中央研究院 2019-01-11 CN disclosed
WO-2018009544-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2018-01-11 WO disclosed
CN-105481766-A Quinocide and preparation method of hydrochloride thereof HIGH & NEW TECH RES CENTER OF HENAN ACAD OF SCIENCES 2016-04-13 CN disclosed
EP-2968274-A1 MEROPENEM DERIVATIVES AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014144285-A1 MEROPENEM DERIVATIVES AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
WO-2012027555-A2 GLYCATED CD59 PEPTIDES, THEIR PREPARATION, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-01 WO disclosed
EP-2205074-A2 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-14 EP disclosed
WO-2009046314-A2 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-09 WO disclosed
WO-2008124571-A2 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-16 WO disclosed
WO-2008028057-A2 SHIKIMIC ACID-DERIVED COMPOUNDS FOR INHIBITION AND DETECTION OF AURORA A-ASSOCIATED TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-03-06 WO disclosed
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 WO disclosed