SCHEMBL25129696

SCHEMBL25129696

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.53
SYK P43405 1/20 0.51
PPARA Q07869 1/20 0.48
KLK7 P49862 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSK P43235 2/20 0.47
CMA1 P23946 1/20 0.46
APP P05067 1/20 0.46
CAPN1 P07384 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 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
SCHEMBL25129695 1.00 KLK5 (0.53) KLK5SYKPPARAKLK7CTSS
SCHEMBL12873000 0.91 KLK5 (0.57) KLK5SYKPPARACTSSCTSL
SCHEMBL6388701 0.91 KLK5 (0.57) KLK5SYKPPARACTSSCTSL
SCHEMBL12214464 0.91 KLK5 (0.57) KLK5SYKPPARACTSSCTSL
SCHEMBL8141342 0.87 CTSK (0.56) KLK5SYKCTSSCTSBCTSK
SCHEMBL5311477 0.87 SYK (0.52) KLK5SYKPPARAKLK7CTSS
SCHEMBL21684844 0.87 CTSK (0.56) KLK5SYKCTSSCTSBCTSK
SCHEMBL6279109 0.87 CTSK (0.56) KLK5SYKCTSSCTSBCTSK
SCHEMBL28870542 0.86 KLK5 (0.52) KLK5SYKPPARAKLK7CTSS
SCHEMBL3740512 0.86 KLK5 (0.52) KLK5SYKPPARAKLK7CTSS

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
CN-118354796-A Compounds, pharmaceutical compositions and methods for treating, preventing or managing hyperproliferative disorders 文赛克斯制药有限责任公司 2024-07-16 CN disclosed
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed