SCHEMBL28620441

SCHEMBL28620441

CCS(=O)(=O)c1ccc([C@H](CC(N)=O)OC(=O)NC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.37
RORA P35398 3/20 0.37
LGMN Q99538 4/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KIF11 P52732 1/20 0.34
PSIP1 O75475 1/20 0.34

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
SCHEMBL23632046 0.88 PSIP1 (0.39) RORCRORAGAALMNAHTT
SCHEMBL28619569 0.86 RORC (0.39) RORCRORAGAALMNAHTT
SCHEMBL23632129 0.86 RORC (0.39) RORCRORAGAALMNAHTT
SCHEMBL29287120 0.84 RORC (0.39) RORCRORALMNAHTT
SCHEMBL28607512 0.83 GAA (0.41) RORCRORAGAAALDH1A1LMNA
SCHEMBL28607513 0.83 GAA (0.41) RORCRORAGAAALDH1A1LMNA
SCHEMBL27816303 0.82 UTS2R (0.44) ALDH1A1LMNA
SCHEMBL29287118 0.75 SLC6A9 (0.37) RORC
SCHEMBL28302130 0.73 RORC (0.39) RORCRORAGAAALDH1A1LMNA
SCHEMBL28620442 0.73 CA2 (0.43) RORCRORALGMNALDH1A1LMNA

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-113121463-A Amide compound with bicyclic structure and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed