SCHEMBL29956593

SCHEMBL29956593

CCOc1ccc(C(C)=O)cc1CSCC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.76
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HPGD P15428 1/20 0.57
CREBBP Q92793 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.50
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.48
RAD52 P43351 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HSP90AA1 P07900 1/20 0.47
DNMT1 P26358 1/20 0.47

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
SCHEMBL29956084 0.86 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1HPGDPTGDR2
SCHEMBL3902396 0.83 ALDH1A1 (0.52) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL14667296 0.78 CREBBP (0.64) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL5119766 0.77 CREBBP (0.62) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL27967180 0.76 CREBBP (0.57) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL29958267 0.76 CREBBP (0.54) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL29952856 0.76 CREBBP (0.54) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL29463757 0.74 CREBBP (0.72) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL3034164 0.74 CREBBP (0.72) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL29952391 0.74 CREBBP (0.51) ALDH1A1HTTL3MBTL1KMT2AMEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed