SCHEMBL20629980

SCHEMBL20629980

CC(C)(N)CCOC(C)(C)CCn1cc(CC(=O)O)nn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
FFAR1 O14842 3/20 0.34
DGAT1 O75907 5/20 0.32
GGPS1 O95749 2/20 0.31
ALOX5 P09917 2/20 0.31
FABP4 P15090 1/20 0.31
EP300 Q09472 1/20 0.31
GLS O94925 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL22059717 0.88 NR1H4 (0.39) NR1H4FFAR1DGAT1GGPS1ALOX5
SCHEMBL22059738 0.85 NR1H4 (0.39) NR1H4FFAR1DGAT1EP300HRH4
SCHEMBL22059619 0.79 NR1H4 (0.44) NR1H4FFAR1DGAT1GGPS1FABP4
SCHEMBL20630600 0.79 DGAT1 (0.35) NR1H4FFAR1DGAT1
SCHEMBL16135469 0.78 DPP4 (0.35)
SCHEMBL16070682 0.75
SCHEMBL18623460 0.72 L3MBTL1 (0.44) NR1H4FFAR1DGAT1HRH4HRH3
SCHEMBL24597894 0.70 GGPS1 (0.30) GGPS1
SCHEMBL20216912 0.70 DGAT1 (0.39) DGAT1ALOX5
SCHEMBL15445150 0.69 DPP4 (0.39) GLS

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-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 WO disclosed