SCHEMBL7330132

SCHEMBL7330132

CCCCC[CH]S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
PSIP1 O75475 1/20 0.45
EPHX2 P34913 2/20 0.45
TLR9 Q9NR96 1/20 0.44
ABCB1 P08183 5/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
ABCC1 P33527 3/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5077216 0.98 EPHX2 (0.47) TDP1PSIP1EPHX2TLR9ABCB1
SCHEMBL29171177 0.89 TDP1 (0.45) TDP1PSIP1EPHX2TLR9ABCB1
SCHEMBL4394025 0.86 PSIP1 (0.50) TDP1PSIP1TLR9ABCB1ALDH1A1
SCHEMBL7878733 0.84 TLR9 (0.52) TDP1TLR9ALDH1A1TSHRCYP1A2
SCHEMBL8655900 0.82 TLR9 (0.50) TDP1TLR9ALDH1A1TSHRCYP1A2
SCHEMBL8366438 0.82 TLR9 (0.50) TDP1PSIP1EPHX2TLR9ABCB1
SCHEMBL8366439 0.82 TLR9 (0.50) TDP1PSIP1EPHX2TLR9ABCB1
SCHEMBL6901744 0.81 EPHX2 (0.51) TDP1PSIP1EPHX2TLR9ABCB1
SCHEMBL6901746 0.81 EPHX2 (0.51) TDP1PSIP1EPHX2TLR9ABCB1
SCHEMBL132867 0.80 TLR9 (0.42) TDP1PSIP1EPHX2TLR9ALDH1A1

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-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed