SCHEMBL21789935

SCHEMBL21789935

CC(C)(C)OC(=O)N[C@@H](CO)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
SYK P43405 1/20 0.59
KLK7 P49862 2/20 0.54
KLK5 Q9Y337 2/20 0.54
HTT P42858 1/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
FOLH1 Q04609 2/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TGM2 P21980 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL21790401 1.00 MAPT (0.63) MAPTSYKKLK7KLK5HTT
SCHEMBL2512643 1.00 MAPT (0.63) MAPTSYKKLK7KLK5HTT
SCHEMBL8838459 0.97 MAPT (0.67) MAPTSYKKLK7KLK5HTT
SCHEMBL29401232 0.97 MAPT (0.67) MAPTSYKKLK7KLK5HTT
SCHEMBL30915257 0.97 MAPT (0.67) MAPTSYKKLK7KLK5HTT
SCHEMBL23161521 0.96 SYK (0.65) MAPTSYKKLK7KLK5HTT
SCHEMBL2512642 0.96 SYK (0.65) MAPTSYKKLK7KLK5HTT
SCHEMBL19301063 0.96 SYK (0.65) MAPTSYKKLK7KLK5HTT
SCHEMBL6620798 0.93 SYK (0.61) MAPTSYKKLK7KLK5HTT
SCHEMBL6619895 0.93 SYK (0.61) MAPTSYKKLK7KLK5HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed
WO-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed
CN-1434795-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2003-08-06 CN disclosed