SCHEMBL31473143

SCHEMBL31473143

C[C@H](OC(C)(C)C)C1C(=O)N(C)[C@@H](C)C(=O)N1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.38
SMO Q99835 3/20 0.38
HDAC6 Q9UBN7 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC1 Q13547 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GHSR Q92847 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
SCHEMBL31473156 0.83 LMNA (0.37) HDAC6HDAC1ALDH1A1CYP1A2MEN1
SCHEMBL31473158 0.75 EHMT2 (0.40) EHMT2SMOHDAC6HDAC1
SCHEMBL4566412 0.66 SMO (0.43) EHMT2SMOHDAC6HDAC1MEN1
SCHEMBL15458755 0.64 SMO (0.56) EHMT2SMOMEN1MAPTTSHR
SCHEMBL30220348 0.62 ALDH1A1 (0.42) EHMT2SMOHDAC6TDP1HDAC1
SCHEMBL13312543 0.62 EHMT2 (0.49) EHMT2SMOHDAC6HDAC1ALDH1A1
SCHEMBL19923759 0.61 SMO (0.60) EHMT2SMOHDAC6ALDH1A1MEN1
SCHEMBL1008151 0.61 P2RX7 (0.46) EHMT2SMOMEN1KMT2A
SCHEMBL31473159 0.61 GHSR (0.33) GHSR
SCHEMBL1189963 0.61 P2RX7 (0.46) EHMT2SMOMEN1KMT2A

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