SCHEMBL9724448

SCHEMBL9724448

COc1ccc(CC(=O)S)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 2/20 0.44

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
SCHEMBL2399662 0.86 LMNA (0.59) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL969758 0.84 GAA (0.70) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4082027 0.84 GAA (0.51) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30094539 0.84 GAA (0.70) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30094581 0.83 GAA (0.53) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL3759057 0.83 GAA (0.53) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL17653849 0.83 EPHX2 (0.52) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL3659918 0.83 GAA (0.50) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL7598558 0.81 GAA (0.49) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL24802444 0.80 GAA (0.47) GAAALDH1A1TSHRNFKB1TDP1

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-5158948-A Treating neurological and psychological disorders ABBOTT LABORATORIES (US) 1992-10-27 US disclosed