SCHEMBL31473149

SCHEMBL31473149

CC(C)(C)OC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
CASP3 P42574 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL31758029 0.84 PLA2G10 (0.37) KMT2AMEN1HCRTR1HCRTR2ALDH1A1
SCHEMBL31473135 0.84 RIPK1 (0.34) KMT2AMEN1HCRTR1HCRTR2ALDH1A1
SCHEMBL30769547 0.81 GPR119 (0.41) PLA2G10PLA2G5CHRM2CHRM3
SCHEMBL31473158 0.75 EHMT2 (0.40) PLA2G10PLA2G5
SCHEMBL25986009 0.73 HDAC4 (0.47) KMT2A
SCHEMBL30769681 0.72 GPR119 (0.41)
SCHEMBL9865999 0.70 EHMT2 (0.55) KMT2AMEN1HCRTR1HCRTR2ALDH1A1
SCHEMBL18926163 0.67 HDAC4 (0.53) MEN1
SCHEMBL17896523 0.67 HDAC4 (0.53) MEN1
SCHEMBL2489351 0.67 KMT2A (0.42) KMT2AMEN1ALDH1A1

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