SCHEMBL26512216

SCHEMBL26512216

CNOCCN1CC2CC1CO2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
WNT1 P04628 2/20 0.31
GSK3B P49841 2/20 0.31
DYRK1A Q13627 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL14207964 0.81 ESR1 (0.37) ESR1ESR2KCNQ3KCNQ2TLR7
SCHEMBL23975685 0.81 ESR1 (0.37) ESR1ESR2KCNQ3KCNQ2TLR7
SCHEMBL25543154 0.78 ESR1 (0.37) ESR1ESR2TLR7WNT1GSK3B
SCHEMBL24702302 0.77 ESR1 (0.35) ESR1ESR2PDE10A
SCHEMBL24702322 0.77 ESR1 (0.35) ESR1ESR2KCNQ3KCNQ2PDE10A
SCHEMBL8369391 0.75 ESR1 (0.34) ESR1ESR2TLR7WNT1GSK3B
SCHEMBL12716623 0.75 ESR1 (0.34) ESR1ESR2TLR7WNT1GSK3B
SCHEMBL12717919 0.75 ESR1 (0.34) ESR1ESR2TLR7WNT1GSK3B
SCHEMBL23206538 0.75 ESR1 (0.34) ESR1ESR2KCNQ3KCNQ2TLR7
SCHEMBL25956536 0.75 ESR1 (0.34) ESR1ESR2KCNQ3KCNQ2TLR7

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-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO disclosed