SCHEMBL28870540

SCHEMBL28870540

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
CTSK P43235 5/20 0.48
CTSB P07858 4/20 0.48
CTSL P07711 4/20 0.48
CTSS P25774 3/20 0.48
KLK5 Q9Y337 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CAPN1 P07384 1/20 0.46
MAPT P10636 1/20 0.45
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
CTSD P07339 1/20 0.44

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
SCHEMBL3736788 1.00 SYK (0.50) SYKCTSKCTSBCTSLCTSS
SCHEMBL24131771 0.97 SYK (0.49) SYKCTSKCTSBCTSLCTSS
SCHEMBL23748810 0.96 SYK (0.48) SYKCTSKCTSBCTSLCTSS
SCHEMBL23748811 0.96 SYK (0.48) SYKCTSKCTSBCTSLCTSS
SCHEMBL8125898 0.94 SYK (0.48) SYKCTSKCTSBCTSLCTSS
SCHEMBL3740512 0.91 KLK5 (0.52) SYKCTSKCTSBCTSLCTSS
SCHEMBL28870542 0.91 KLK5 (0.52) SYKCTSKCTSBCTSLCTSS
SCHEMBL23567826 0.90 CTSB (0.53) CTSKCTSBCTSLCTSSMEN1
SCHEMBL28870539 0.90 CTSB (0.53) CTSKCTSBCTSLCTSSMEN1
SCHEMBL25235990 0.88 KLK5 (0.51) SYKCTSKCTSBCTSLCTSS

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