SCHEMBL8260201

SCHEMBL8260201

CC(C)C[C@]1(C(=O)OCc2ccccc2)CS1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSK P43235 2/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL13337015 0.86 HCAR2 (0.41) ALDH1A1MAPK1L3MBTL1TDP1CTSK
SCHEMBL8258760 0.82 ALDH1A1 (0.47) ALDH1A1DDB1CRBNKMT2AMAPK1
SCHEMBL13336997 0.79 ALDH1A1 (0.49) ALDH1A1DDB1CRBNKMT2AMAPK1
SCHEMBL23987261 0.77 ALDH1A1 (0.46) ALDH1A1DDB1CRBNKMT2AMAPK1
SCHEMBL8260933 0.77 DDB1 (0.43) ALDH1A1DDB1CRBNKMT2AMAPK1
SCHEMBL16347929 0.76 ALDH1A1 (0.45) ALDH1A1DDB1CRBN
SCHEMBL21446090 0.73 DDB1 (0.42) ALDH1A1DDB1CRBNCTSK
SCHEMBL3007896 0.73 ALDH1A1 (0.51) ALDH1A1DDB1CRBNKMT2AMAPK1
SCHEMBL16866559 0.73 ALDH1A1 (0.51) ALDH1A1DDB1CRBNKMT2AMAPK1
SCHEMBL15114662 0.72 ALDH1A1 (0.50) ALDH1A1DDB1CRBNKMT2AMAPK1

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
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 WO disclosed