SCHEMBL21202246

SCHEMBL21202246

CCC(C)CCOC(=O)C(CCC#N)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.35
CTSK P43235 6/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL21473627 0.88 ALOX15 (0.33) CTSSCTSKMEN1KMT2ACTSL
SCHEMBL21202148 0.82 CTSS (0.40) CTSSCTSKMEN1KMT2A
SCHEMBL21475351 0.77 CTSS (0.32) CTSSCTSKMEN1KMT2A
SCHEMBL21202146 0.77 CTSS (0.32) CTSSCTSKMEN1KMT2A
SCHEMBL21202161 0.77 CTSS (0.32) CTSSCTSKMEN1KMT2A
SCHEMBL21202245 0.75 ALOX15 (0.32) MEN1KMT2AALOX15
SCHEMBL19105381 0.74 TSHR (0.38) MEN1KMT2A
SCHEMBL547994 0.73 CTSK (0.38) CTSSCTSKMEN1KMT2ACTSL
SCHEMBL21473630 0.72 ACE2 (0.41) CTSSCTSKCTSLALOX15
SCHEMBL19117214 0.72 SLC1A2 (0.37) MEN1KMT2A

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
US-10367228-B2 Diester-based polymer electrolytes for high voltage lithium ion batteries SEEO, INC. (US) 2019-07-30 US disclosed