SCHEMBL28870542

SCHEMBL28870542

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.52
SYK P43405 1/20 0.47
PPARA Q07869 1/20 0.45
MAPT P10636 1/20 0.45
KLK7 P49862 1/20 0.44
CMA1 P23946 1/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
APP P05067 1/20 0.43
CAPN1 P07384 1/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43

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
SCHEMBL3740512 1.00 KLK5 (0.52) KLK5SYKPPARAMAPTKLK7
SCHEMBL25235990 0.97 KLK5 (0.51) KLK5SYKPPARAMAPTKLK7
SCHEMBL25235992 0.97 KLK5 (0.51) KLK5SYKPPARAMAPTKLK7
SCHEMBL3736788 0.91 SYK (0.50) KLK5SYKMAPTCTSSCTSL
SCHEMBL28870540 0.91 SYK (0.50) KLK5SYKMAPTCTSSCTSL
SCHEMBL28870539 0.90 CTSB (0.53) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL23567826 0.90 CTSB (0.53) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL19813646 0.89 SYK (0.49) KLK5SYKPPARAMAPTKLK7
SCHEMBL19813647 0.89 SYK (0.49) KLK5SYKPPARAMAPTKLK7
SCHEMBL24131771 0.88 SYK (0.49) KLK5SYKMAPTCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244028-A Synthetic method of 4-valyloxy butyric acid 凯瑞康宁生物工程有限公司 2022-10-25 CN disclosed