SCHEMBL7296391

SCHEMBL7296391

CC(C)(C[O])S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.46
HSD11B1 P28845 1/20 0.44
HTR6 P50406 2/20 0.42
ALDH1A1 P00352 6/20 0.42
HTR7 P34969 3/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR1B P28222 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL13703524 0.83 PSIP1 (0.52) PSIP1HSD11B1HTR6ALDH1A1HTR7
SCHEMBL780280 0.81 ALDH1A1 (0.60) PSIP1HSD11B1HTR6ALDH1A1SMN1; SMN2
SCHEMBL6609879 0.81 HTR6 (0.46) PSIP1HSD11B1HTR6ALDH1A1HTR7
SCHEMBL11520558 0.81 PSIP1 (0.45) PSIP1HSD11B1HTR6ALDH1A1HTR7
SCHEMBL777161 0.81 PSIP1 (0.45) PSIP1HSD11B1HTR6ALDH1A1HTR7
Fluoride SCHEMBL775526 0.79 ALDH1A1 (0.58) PSIP1HSD11B1HTR6ALDH1A1SMN1; SMN2
SCHEMBL25062241 0.79 PSIP1 (0.43) PSIP1HSD11B1HTR6ALDH1A1HTR7
SCHEMBL18852692 0.79 PSIP1 (0.48) PSIP1HSD11B1HTR6ALDH1A1HTR7
SCHEMBL6095322 0.78 HSD11B1 (0.44) PSIP1HSD11B1HTR6ALDH1A1HTR7
SCHEMBL27645438 0.78 HTR7 (0.44) PSIP1HSD11B1HTR6ALDH1A1HTR7

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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed