SCHEMBL31034982

SCHEMBL31034982

C[C@@]1(C(=O)OCc2ccccc2)NCCO1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL6105728 0.81 ALDH1A1 (0.45) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL6105732 0.81 ALDH1A1 (0.45) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL1526934 0.76 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL6709368 0.74 ALDH1A1 (0.54) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL19023356 0.73 DDB1 (0.49) ALDH1A1DDB1CRBN
SCHEMBL19176803 0.73 ALDH1A1 (0.50) ALDH1A1DDB1CRBNKMT2AMEN1
SCHEMBL19023358 0.73 DDB1 (0.49) ALDH1A1DDB1CRBN
SCHEMBL21952209 0.73 DDB1 (0.43) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL28366851 0.73 DDB1 (0.43) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL5213485 0.72 DDB1 (0.51) ALDH1A1DDB1CRBNHTR2C

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-118434714-A Compounds, compositions, methods, and methods of manufacture 株式会社华伦迪 2024-08-02 CN disclosed