SCHEMBL11468387

SCHEMBL11468387

COC(=O)C(Br)c1ccc(SC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
PLK1 P53350 1/20 0.42
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.39
SLC6A4 P31645 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RCE1 Q9Y256 1/20 0.37
LMNA P02545 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL28261002 0.81 HPGD (0.49) ACACBPLK1AKR1C3AKR1C2KMT2A
SCHEMBL12999075 0.81 ALDH1A1 (0.36) KMT2ATAS1R3TAS1R1ALDH1A1ESR1
SCHEMBL11565132 0.80 L3MBTL1 (0.43) SLC6A4ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4011952 0.80 LMNA (0.41) GAASLC6A4ALDH1A1KDM4ELMNA
SCHEMBL11358790 0.80 PLK1 (0.43) ACACBPLK1AKR1C3AKR1C2KMT2A
SCHEMBL1564938 0.79 CYP1A2 (0.50) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8881032 0.79 ESR1 (0.54) KMT2AALDH1A1MAPTALOX15LMNA
SCHEMBL4013605 0.79 L3MBTL1 (0.46) KMT2AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4776154 0.79 L3MBTL1 (0.45) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11564445 0.78 SLC6A3 (0.46) ACACBKMT2ASLC6A4ALDH1A1ESR1

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-4207234-A 4-Unsubstituted azetidinone derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-06-10 US disclosed