SCHEMBL28538784

SCHEMBL28538784

CS(=O)(=O)C1CCC(CO)(COC(N)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.33
ALOX15 P16050 1/20 0.33
CTNNB1 P35222 1/20 0.33
GAA P10253 1/20 0.30
RORC P51449 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
SCHEMBL28538886 0.81 ALOX15 (0.34) ALOX15CTNNB1GAARORC
SCHEMBL28538887 0.81 ALOX15 (0.34) ALOX15CTNNB1GAARORC
SCHEMBL28625576 0.78 ALOX15 (0.37) ALOX15CTNNB1
SCHEMBL23189671 0.77 SLC6A9 (0.34) SLC6A9
SCHEMBL28536649 0.77 RORC (0.33) ALOX15CTNNB1GAARORC
SCHEMBL28536645 0.77 RORC (0.33) ALOX15CTNNB1GAARORC
Hydrochloric Acid SCHEMBL23189768 0.76 SLC6A9 (0.33) SLC6A9
SCHEMBL29135764 0.75 ALOX15 (0.34) ALOX15CTNNB1
SCHEMBL28647956 0.75 USP2 (0.35) ALOX15CTNNB1
SCHEMBL28534683 0.72 RORC (0.32) RORC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed
CN-112334450-A Phenyl and pyridyl substituted imidazoles as modulators of ROR γ t 詹森药业有限公司 2021-02-05 CN disclosed