SCHEMBL31065768

SCHEMBL31065768

CC1(NC(=O)OC(C)(C)C)CCC(NC=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
ADH1B P00325 4/20 0.37
ADH1A P07327 4/20 0.37
BTK Q06187 1/20 0.35
ADH1C P00326 3/20 0.35
ADH7 P40394 2/20 0.35
ADH4 P08319 1/20 0.34
EPHX1 P07099 1/20 0.34
RORC P51449 1/20 0.34
CTSK P43235 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSL P07711 1/20 0.32
APLNR P35414 1/20 0.31

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
SCHEMBL31065777 0.83 GAA (0.40) GAAKMT2AMEN1MAPK1BTK
SCHEMBL31065786 0.83 GAA (0.40) GAAKMT2AMEN1MAPK1BTK
SCHEMBL27225484 0.82 KMT2A (0.39) GAAKMT2AMEN1MAPK1BTK
SCHEMBL1730719 0.80 KMT2A (0.42) GAAKMT2AMEN1MAPK1BTK
SCHEMBL26342483 0.80 MEN1 (0.42) GAAKMT2AMEN1MAPK1BTK
SCHEMBL15115795 0.80 KMT2A (0.42) GAAKMT2AMEN1MAPK1BTK
SCHEMBL2087734 0.79 RORC (0.43) GAAKMT2AMEN1MAPK1BTK
SCHEMBL10127311 0.78 MEN1 (0.41) GAAKMT2AMEN1MAPK1BTK
SCHEMBL13485258 0.78 MEN1 (0.41) GAAKMT2AMEN1MAPK1BTK
SCHEMBL13485263 0.78 MEN1 (0.41) GAAKMT2AMEN1MAPK1BTK

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-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed