SCHEMBL31394643

SCHEMBL31394643

CC1(C)OB(c2cc3c(cc2F)COC3)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MAPK1 P28482 1/20 0.34
P2RX7 Q99572 1/20 0.33
ROCK1 Q13464 1/20 0.32
JAK2 O60674 1/20 0.30
BTK Q06187 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
SCHEMBL31394045 0.89 MAPK1 (0.40) LPLLIPGMAPK1P2RX7
SCHEMBL31394354 0.82 MAPK1 (0.36) LPLLIPGMAPK1P2RX7
SCHEMBL1646761 0.81 LPL (0.44) LPLLIPGMAPK1P2RX7ROCK1
SCHEMBL4471407 0.79 LPL (0.42) LPLLIPGMAPK1P2RX7ROCK1
SCHEMBL31394839 0.78 PGR (0.32) LPLLIPGROCK1
SCHEMBL25395984 0.77 LPL (0.41) LPLLIPGMAPK1P2RX7ROCK1
SCHEMBL29097905 0.75 PNMT (0.34)
SCHEMBL15056617 0.74 MAPK1 (0.34) LPLLIPGMAPK1P2RX7ROCK1
SCHEMBL22898250 0.74 MEN1 (0.42) MAPK1P2RX7ROCK1JAK2BTK
SCHEMBL30316100 0.74 LPL (0.39) LPLLIPGMAPK1P2RX7JAK2

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-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed