SCHEMBL23632129

SCHEMBL23632129

CCS(=O)(=O)c1ccc(C(CO)OC(=O)NC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.39
RORA P35398 3/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
GAA P10253 1/20 0.34
PSIP1 O75475 1/20 0.33

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
SCHEMBL28619569 1.00 RORC (0.39) RORCRORALMNAHTTPSEN1
SCHEMBL23632046 0.88 PSIP1 (0.39) RORCRORALMNAHTTGAA
SCHEMBL29287118 0.88 SLC6A9 (0.37) RORC
SCHEMBL29287120 0.87 RORC (0.39) RORCRORALMNAHTTPSEN1
SCHEMBL28620441 0.86 RORC (0.37) RORCRORALMNAHTTGAA
SCHEMBL29287129 0.83 GCK (0.37)
SCHEMBL28995697 0.82 RAB9A (0.40) LMNA
SCHEMBL28821222 0.82 TSHR (0.42) LMNAGAA
SCHEMBL28404198 0.81 KMT2A (0.43) LMNAHTT
SCHEMBL27674503 0.81 LMNA (0.39) LMNAHTTGAA

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-2021139595-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed