SCHEMBL30950127

SCHEMBL30950127

CCOC(=O)C(O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
F10 P00742 9/20 0.44
PRSS1 P07477 9/20 0.44
PRSS2 P07478 9/20 0.44
PRSS3 P35030 9/20 0.44
PLG P00747 7/20 0.44
F2 P00734 6/20 0.44
ABHD6 Q9BV23 3/20 0.44
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21834083 1.00 ESR1 (0.56) ESR1ESR2F10PRSS1PRSS2
SCHEMBL31670428 0.88 ESR1 (0.55) ESR1ESR2F10PRSS1PRSS2
SCHEMBL4680153 0.84 ESR1 (0.55) ESR1ESR2F10PRSS1PRSS2
SCHEMBL4682332 0.81 ESR1 (0.50) ESR1ESR2F10PRSS1PRSS2
SCHEMBL28620925 0.81 ESR1 (0.55) ESR1ESR2ABHD6PKM
SCHEMBL12862882 0.81 ESR1 (0.67) ESR1ESR2ABHD6PKMMAPT
SCHEMBL31670363 0.79 ESR1 (0.57) ESR1ESR2F10ABHD6PKM
SCHEMBL21834082 0.79 ESR1 (0.57) ESR1ESR2F10ABHD6PKM
SCHEMBL31670427 0.78 ESR1 (0.44) ESR1ESR2F10PRSS1PRSS2
SCHEMBL8266789 0.77 ESR1 (0.72) ESR1ESR2ABHD6PKMALDH1A1

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-3852791-B1 ACTIVATING PYRUVATE KINASE R NOVO NORDISK HEALTHCARE AG (CH) 2024-07-03 EP disclosed