SCHEMBL8370770

SCHEMBL8370770

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GSTK1 Q9Y2Q3 2/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
AKR1B1 P15121 1/20 0.41
ENPEP Q07075 1/20 0.41
GPR84 Q9NQS5 2/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
TLR2 O60603 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3239628 0.94 LMNA (0.41) FFAR4FFAR1LMNAALDH1A1GSTK1
SCHEMBL3331716 0.85 GABRP (0.48) LMNAENPEP
Nitric Acid SCHEMBL29164927 0.80 KDM4C (0.50) FFAR4FFAR1LMNAALDH1A1GSTK1
SCHEMBL23429943 0.78 GSTK1 (0.48) FFAR4FFAR1LMNAALDH1A1GSTK1
SCHEMBL21362756 0.77 FFAR4 (0.46) FFAR4FFAR1LMNAALDH1A1TSHR
SCHEMBL2165300 0.77 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL23429961 0.76 GSTK1 (0.50) FFAR4FFAR1LMNAALDH1A1GSTK1
SCHEMBL23429912 0.76 GSTK1 (0.50) FFAR4FFAR1LMNAALDH1A1GSTK1
SCHEMBL23429895 0.76 GSTK1 (0.50) FFAR4FFAR1LMNAALDH1A1GSTK1
SCHEMBL23429925 0.76 GSTK1 (0.50) FFAR4FFAR1LMNAALDH1A1GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964521-A Preparation method of sabatier starter intermediate 江苏科本药业有限公司 2024-05-03 CN claimed
CN-117964521-A Preparation method of sabatier starter intermediate 江苏科本药业有限公司 2024-05-03 CN disclosed
CN-117964521-A Preparation method of sabatier starter intermediate 江苏科本药业有限公司 2024-05-03 CN disclosed
EP-0710671-B1 2-Nitroalkyl ethers of native or modified starch, method for the preparation thereof, and ethers derived therefrom AVEBE COOP VERKOOP PROD (NL) 1999-02-10 EP disclosed
EP-0710671-A1 2-Nitroalkyl ethers of native or modified starch, method for the preparation thereof, and ethers derived therefrom Coöperatieve Verkoop- en Productievereniging van Aardappelmeel en Derivaten 'AVEBE' B.A. (NL) 1996-05-08 EP disclosed