SCHEMBL8370822

SCHEMBL8370822

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.46
AKR1B1 P15121 1/20 0.43
PPARG P37231 10/20 0.42
PPARA Q07869 8/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARD Q03181 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7801305 0.95 FFAR4 (0.49) PLA2G2CAKR1B1PPARGPPARAGPR84
SCHEMBL6292926 0.93 FFAR4 (0.51) PLA2G2CPPARGPPARAGPR84PPARD
SCHEMBL7694858 0.89 HDAC1 (0.41) PLA2G2CAKR1B1PPARGPPARAGPR84
SCHEMBL23429896 0.86 LMNA (0.41) TSHRSLC22A6MEN1KMT2A
SCHEMBL725597 0.86 LMNA (0.48) MEN1KMT2A
SCHEMBL1593287 0.86 FFAR4 (0.61) AKR1B1PPARGPPARAGPR84PPARD
SCHEMBL14166998 0.86 FFAR4 (0.61) AKR1B1PPARGPPARAGPR84PPARD
SCHEMBL14166507 0.86 FFAR4 (0.61) AKR1B1PPARGPPARAGPR84PPARD
SCHEMBL18114663 0.86 FFAR4 (0.61) AKR1B1PPARGPPARAGPR84PPARD
SCHEMBL14166506 0.86 FFAR4 (0.61) AKR1B1PPARGPPARAGPR84PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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