SCHEMBL8258760

SCHEMBL8258760

O=C(OCc1ccccc1)[C@@]1(Cc2ccccc2)CS1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8260933 0.82 DDB1 (0.43) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL8260201 0.82 ALDH1A1 (0.46) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL13538609 0.76 MAOA (0.42) KMT2A
SCHEMBL13336997 0.75 ALDH1A1 (0.49) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL2542693 0.75 DDB1 (0.54) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL3007896 0.74 ALDH1A1 (0.51) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL16866559 0.74 ALDH1A1 (0.51) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL16661304 0.74 DDB1 (0.56) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL31613300 0.73 CYP17A1 (0.63) ALDH1A1DDB1CRBNMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL2805409 0.73 DDB1 (0.52) ALDH1A1DDB1CRBNMAPK1L3MBTL1

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