SCHEMBL4757741

SCHEMBL4757741

N[C@@H](CC1=CCCCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.48
GRIA4 P48058 2/20 0.48
GRIK5 Q16478 2/20 0.48
GRIA3 P42263 1/20 0.48
SLC7A5 Q01650 3/20 0.44
PTGS1 P23219 2/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
XIAP P98170 1/20 0.43
GRIK1 P39086 2/20 0.42
GRIA2 P42262 1/20 0.42
GRIK3 Q13003 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TYR P14679 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL6255381 1.00 GRIA1 (0.48) GRIA1GRIA4GRIK5GRIA3SLC7A5
SCHEMBL5298700 0.98 GRIA1 (0.47) GRIA1GRIA4GRIK5GRIA3SLC7A5
SCHEMBL615017 0.95 GRIA1 (0.52) GRIA1GRIA4GRIK5GRIA3SLC7A5
SCHEMBL939749 0.95 GRIA1 (0.52) GRIA1GRIA4GRIK5GRIA3SLC7A5
SCHEMBL14485771 0.95 GRIA1 (0.52) GRIA1GRIA4GRIK5GRIA3SLC7A5
Benzoquinone SCHEMBL23630290 0.92 GRIA1 (0.46) GRIA1GRIA4GRIK5GRIA3SLC7A5
SCHEMBL612974 0.81 GRIA1 (0.43) GRIA1GRIA4GRIK5GRIA3
SCHEMBL9512449 0.80 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL9512439 0.80 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
Hydrochloric Acid SCHEMBL11881163 0.79 KDM4E (0.46) ALDH1A1MAPTKDM4EHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008002600-A2 BIOSYNTHESIS OF SALINOSPORAMIDE A AND ANALOGS AND METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-03 WO claimed
US-20230109331-A1 COMPOSITIONS, SYSTEMS AND METHODS FOR PRODUCTION OF VALUE-ADDED CHEMICALS SOLUGEN, INC. (US) 2023-04-06 US disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed
US-3978034-A L-Aspartyl dipeptides as sweetening agents E. R. SQUIBB & SONS, INC. (US) 1976-08-31 US disclosed