SCHEMBL31473158

SCHEMBL31473158

C[C@H]1C(=O)N(Cc2ccccc2)[C@@H](COC(C)(C)C)C(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.40
HDAC6 Q9UBN7 8/20 0.40
SMO Q99835 2/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CAPN1 P07384 1/20 0.35

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
SCHEMBL31473150 0.83 HDAC1 (0.40) HDAC6HDAC1HDAC8
SCHEMBL31473167 0.81 MAPT (0.38)
SCHEMBL31473132 0.79 HCRTR1 (0.45) MMP1MMP3MMP9
SCHEMBL31473148 0.79 BRD4 (0.33)
SCHEMBL31473144 0.78 HCRTR1 (0.43)
SCHEMBL31473141 0.76 CAPN1 (0.35) CAPN1
SCHEMBL31758029 0.76 PLA2G10 (0.37) EHMT2HDAC6MMP1MMP3MMP9
SCHEMBL31473143 0.75 EHMT2 (0.38) EHMT2HDAC6SMOHDAC1
SCHEMBL31473149 0.75 KMT2A (0.42) PLA2G10PLA2G5
SCHEMBL31473135 0.72 RIPK1 (0.34) EHMT2HDAC6MMP1MMP3MMP9

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-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 CN disclosed