SCHEMBL26437339

SCHEMBL26437339

CC(=O)NS(C(C)C)(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.35
MMP12 P39900 1/20 0.35
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
DHFR P00374 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL208469 0.74 GRIA1 (0.37) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL28781877 0.67 DHFR (0.33) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL25525228 0.67
SCHEMBL18782930 0.65 CA14 (0.38) KDM4ECA2PTGS1MMP12DHFR
SCHEMBL3310419 0.65 CA2 (0.41) KDM4ECA2PTGS1MMP12NFKB1
SCHEMBL24961528 0.64 CA1 (0.33) CA2DHFRTSHRSMN1; SMN2TDP1
SCHEMBL13773406 0.64 ALDH1A1 (0.40) DHFRTSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL177789 0.63
SCHEMBL208791 0.63
SCHEMBL16127814 0.61

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
EP-4175001-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION BATTERY Mitsubishi Chemical Corporation (JP) 2023-05-03 EP disclosed