SCHEMBL25218772

SCHEMBL25218772

OCCCCCCCCCC(CS)CCCCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.52
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
MIF P14174 1/20 0.32
CPB2 Q96IY4 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6925076 0.82 LMNA (0.46) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL9702342 0.82 LMNA (0.46) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL263657 0.77 LMNA (0.55) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL272442 0.77 LMNA (0.55) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL9101097 0.77 LMNA (0.55) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL9862682 0.77 LMNA (0.55) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL8329623 0.77 LMNA (0.42) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL9099634 0.77 LMNA (0.55) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL9099182 0.77 LMNA (0.55) GSTK1LMNAALDH1A1HSD17B10MEN1
SCHEMBL9097489 0.77 LMNA (0.55) GSTK1LMNAALDH1A1HSD17B10MEN1

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
WO-2023102364-A1 ANTIVIRAL COMPOUNDS, COMPOSITIONS AND USES THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2023-06-08 WO disclosed