SCHEMBL7975866

SCHEMBL7975866

CC(C)(C)OC(=O)NC(C=O)CC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.52
KLK7 P49862 1/20 0.52
SYK P43405 1/20 0.52
CTSK P43235 6/20 0.51
PPARA Q07869 2/20 0.49
ATM Q13315 1/20 0.49
CTSB P07858 3/20 0.47
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
MAPT P10636 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL23971349 1.00 KLK5 (0.52) KLK5KLK7SYKCTSKPPARA
SCHEMBL1261930 1.00 KLK5 (0.52) KLK5KLK7SYKCTSKPPARA
SCHEMBL2062558 0.90 SYK (0.55) SYKCTSKATMCTSBCTSL
SCHEMBL187066 0.90 SYK (0.55) SYKCTSKATMCTSBCTSL
SCHEMBL2061787 0.90 SYK (0.55) SYKCTSKATMCTSBCTSL
SCHEMBL25491975 0.87 CTSB (0.51) CTSKCTSBCTSL
SCHEMBL29458828 0.84 SYK (0.63) SYKCTSKPPARAATMCTSB
SCHEMBL8311926 0.84 CTSK (0.56) SYKCTSKCTSBCTSLMAPT
SCHEMBL28807325 0.84 SYK (0.41) KLK5KLK7SYKCTSKPPARA
SCHEMBL75663 0.84 KLK5 (0.55) KLK5KLK7SYKCTSKPPARA

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
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
CN-117820333-A KRAS G12C inhibitors 伊莱利利公司 2024-04-05 CN disclosed
CN-114828964-B KRAS G12C inhibitors 伊莱利利公司 2023-11-24 CN disclosed
CN-112135830-A Oxo substituted compounds 大日本住友制药株式会社 2020-12-25 CN disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed