SCHEMBL9660797

SCHEMBL9660797

COC(=O)c1cc(Cl)c(Cl)cc1SCC(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABL1 P00519 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
CA2 P00918 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL9659033 0.82 POLB (0.49) POLBHSD17B10GAAALDH1A1TDP1
SCHEMBL9659012 0.79 HSD17B10 (0.49) POLBHSD17B10GAAALDH1A1TDP1
SCHEMBL9661198 0.76 HSD17B10 (0.74) POLBHSD17B10GAAALDH1A1TDP1
SCHEMBL8967935 0.76 CTSK (0.37) POLBHSD17B10GAAALDH1A1TDP1
SCHEMBL1953848 0.75 GAA (0.58) HSD17B10GAAALDH1A1SMN1; SMN2ABL1
SCHEMBL9660785 0.74 HTT (0.42) POLBHSD17B10GAAALDH1A1SMN1; SMN2
SCHEMBL9661104 0.74 ALDH1A1 (0.52) POLBHSD17B10GAAALDH1A1TDP1
SCHEMBL9661884 0.73 CA1 (0.48) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL852553 0.72 GAA (0.51) GAASMN1; SMN2ABL1HTTMEN1
SCHEMBL19328690 0.72 GAA (0.55) GAAALDH1A1SMN1; SMN2CYP3A4ABL1

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-5118680-A COMBATING ENDOPARASITES WITH 3-HYDROXYBENZOTHIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed