SCHEMBL24115349

SCHEMBL24115349

CN[C@@H](Cn1ccc(=O)[nH]c1=O)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
CRBN Q96SW2 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
DUT P33316 12/20 0.46
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 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
SCHEMBL24115281 0.86 DUT (0.49) PKMCRBNALDH1A1LMNADUT
SCHEMBL24115234 0.80 PKM (0.50) PKMCRBNALDH1A1LMNADUT
SCHEMBL5001166 0.78 DUT (0.51) PKMCRBNALDH1A1LMNADUT
SCHEMBL4311546 0.77 DUT (0.50) PKMCRBNALDH1A1LMNADUT
SCHEMBL5000786 0.77 DUT (0.50) PKMCRBNALDH1A1LMNADUT
SCHEMBL23873265 0.74 PKM (0.60) PKMCRBNALDH1A1LMNADUT
SCHEMBL7133033 0.74 PKM (0.65) PKMCRBNALDH1A1LMNADUT
SCHEMBL7136481 0.74 PKM (0.56) PKMCRBNALDH1A1LMNADUT
SCHEMBL11983580 0.73 ALDH1A1 (0.58) PKMCRBNALDH1A1LMNADUT
SCHEMBL14478216 0.71 PKM (0.61) PKMCRBNALDH1A1LMNADUT

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-3925667-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-22 EP disclosed