SCHEMBL722858

SCHEMBL722858

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.53
RNPEP Q9H4A4 1/20 0.43
SLC7A5 Q01650 1/20 0.43
ALDH1A1 P00352 3/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33

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
SCHEMBL13189787 0.79 CPA1 (0.39) CPA1
SCHEMBL27907711 0.79 CPA1 (0.52) CPA1KMT2AMEN1LMNA
SCHEMBL1008129 0.76
SCHEMBL15374285 0.75 CPA1 (0.43) CPA1SLC7A5ALDH1A1LMNAMAPT
SCHEMBL15374287 0.75 CPA1 (0.43) CPA1SLC7A5ALDH1A1LMNAMAPT
SCHEMBL9851962 0.74 CHRM1 (0.48) CPA1ALDH1A1SLC1A3SLC1A2MAPT
Hydrochloric Acid SCHEMBL11628885 0.74 ALDH1A1 (0.41) CPA1ALDH1A1SLC1A3SLC1A2KMT2A
SCHEMBL2724137 0.74 CPA1 (0.50) CPA1RNPEPSLC7A5ALDH1A1SLC1A3
SCHEMBL27812316 0.74 CPA1 (0.50) CPA1RNPEPSLC7A5ALDH1A1SLC1A3
Nitromethane SCHEMBL28456989 0.73 ALDH1A1 (0.39) CPA1ALDH1A1SLC1A3SLC1A2KMT2A

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 11 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
CN-109563509-B Reduced size self-delivering nucleic acid compounds targeting long non-coding RNAs 菲奥医药公司 2022-08-09 CN disclosed
CN-114727974-A HDAC6 inhibitors and uses thereof 艾科尼佐治疗股份有限公司 2022-07-08 CN 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
EP-3481830-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF The Broad Institute, Inc. (US) 2019-05-15 EP disclosed
WO-2018009544-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2018-01-11 WO 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-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