SCHEMBL8260933

SCHEMBL8260933

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
TGM2 P21980 1/20 0.39

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
SCHEMBL8258760 0.82 ALDH1A1 (0.47) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL8260201 0.77 ALDH1A1 (0.46) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL2707361 0.77 DDB1 (0.46) DDB1CRBNALDH1A1HCAR2MAPK1
SCHEMBL4690586 0.76 DDB1 (0.45) DDB1CRBNALDH1A1KMT2A
SCHEMBL23970538 0.75 DDB1 (0.41) DDB1CRBNALDH1A1HCAR2MAPK1
SCHEMBL12745798 0.75 DDB1 (0.44) DDB1CRBNALDH1A1HCAR2MAPK1
SCHEMBL11321667 0.73 DDB1 (0.50) DDB1CRBNALDH1A1HCAR2MAPK1
SCHEMBL28999976 0.72 DDB1 (0.44) DDB1CRBNALDH1A1HCAR2MAPK1
SCHEMBL13336997 0.71 ALDH1A1 (0.49) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL2542693 0.70 DDB1 (0.54) DDB1CRBNALDH1A1MAPK1L3MBTL1

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