SCHEMBL28412955

SCHEMBL28412955

CCCCCCCCCC(C)(C)OS(=O)(=O)c1ccccc1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ABCB1 P08183 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PSIP1 O75475 1/20 0.38
ABCC1 P33527 3/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
RECQL P46063 1/20 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
SCHEMBL16045484 0.89 PSIP1 (0.42) TDP1CA12CA1CA2CA4
Ammonia Solution, Strong SCHEMBL7210452 0.84 MCHR1 (0.44) TDP1ALDH1A1TSHR
SCHEMBL464892 0.84 CA12 (0.41) TDP1ABCB1CA12CA1CA2
SCHEMBL16046048 0.84 PSIP1 (0.43) TDP1CA12CA1CA2CA4
SCHEMBL8394579 0.79 PSIP1 (0.47) TDP1ALDH1A1PSIP1
SCHEMBL2057427 0.77 ABCB1 (0.43) TDP1ABCB1CA12CA1CA2
SCHEMBL3434446 0.76 CA12 (0.38) TDP1ABCB1CA12CA1CA2
SCHEMBL16048079 0.75 CYP2D6 (0.42) TDP1CA12CA1CA2CA9
SCHEMBL8717206 0.75 PPARA (0.40) TDP1ABCB1ALDH1A1TSHRRECQL
SCHEMBL7154403 0.74 ALDH1A1 (0.38) TDP1ABCB1CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111235146-B Method for separating intracellular and extracellular DNAs (deoxyribonucleic acids) in sludge and method for detecting drug-resistant genes carried by sludge 南华大学 2022-02-08 CN claimed
CN-111235146-A Method for separating intracellular and extracellular DNAs (deoxyribonucleic acids) in sludge and method for detecting drug-resistant genes carried by sludge 南华大学 2020-06-05 CN claimed