SCHEMBL20630600

SCHEMBL20630600

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.35
NR1H4 Q96RI1 1/20 0.33
FFAR1 O14842 1/20 0.32
MMP2 P08253 7/20 0.32
MMP9 P14780 7/20 0.32
MMP8 P22894 7/20 0.32
MMP13 P45452 6/20 0.32
GPR88 Q9GZN0 1/20 0.31

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
SCHEMBL20629980 0.79 NR1H4 (0.36) DGAT1NR1H4FFAR1
SCHEMBL22060200 0.75 NAMPT (0.42) DGAT1NR1H4FFAR1
SCHEMBL22059619 0.72 NR1H4 (0.44) DGAT1NR1H4FFAR1
SCHEMBL22059717 0.71 NR1H4 (0.39) DGAT1NR1H4FFAR1
SCHEMBL22059738 0.69 NR1H4 (0.39) DGAT1NR1H4FFAR1
SCHEMBL18623460 0.68 L3MBTL1 (0.44) DGAT1NR1H4FFAR1
SCHEMBL2628187 0.65 KDM4E (0.41) NR1H4
SCHEMBL13542693 0.64 NAMPT (0.41) DGAT1
SCHEMBL20630504 0.63 FOLH1 (0.37)
SCHEMBL20332148 0.63 ALOX5 (0.38) DGAT1MMP2MMP9MMP8MMP13

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