SCHEMBL28580288

SCHEMBL28580288

CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](CO)N(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 2/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL924412 1.00 PPM1D (0.34) PPM1DHCRTR1HCRTR2POLBL3MBTL1
SCHEMBL2699159 0.89 PPM1D (0.33) PPM1D
SCHEMBL29245844 0.87 PPM1D (0.34) PPM1D
SCHEMBL376587 0.87 PPM1D (0.34) PPM1D
SCHEMBL3525995 0.87 PPM1D (0.34) PPM1D
SCHEMBL5314317 0.87 PPM1D (0.34) PPM1D
SCHEMBL3470472 0.87 PPM1D (0.34) PPM1D
SCHEMBL30729563 0.87 PPM1D (0.34) PPM1D
SCHEMBL2634064 0.87 PPM1D (0.34) PPM1D
SCHEMBL30842585 0.85 NR1H2 (0.38) L3MBTL1

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
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN disclosed