SCHEMBL19692240

SCHEMBL19692240

CCCCc1ccccc1SCCN

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.41
PTGS2 P35354 4/20 0.40
LIPG Q9Y5X9 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KIF11 P52732 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TYR P14679 1/20 0.36
MAPT P10636 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
SCHEMBL11711984 0.79 LIPG (0.41) TLR8PTGS2LIPGCYP3A4CYP2D6
SCHEMBL16846614 0.79 PTGS2 (0.49) TLR8PTGS2MAPT
SCHEMBL2554563 0.78 LIPG (0.43) TLR8PTGS2LIPGCYP3A4CYP2D6
SCHEMBL1576764 0.77 LIPG (0.46) TLR8LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL942954 0.77 APOBEC3G (0.50) TLR8PTGS2LIPGCYP3A4CYP2D6
SCHEMBL1645197 0.77 PTGS2 (0.49) TLR8PTGS2
SCHEMBL3016133 0.77 PTGS2 (0.46) TLR8PTGS2LIPG
SCHEMBL11406670 0.77 LIPG (0.51) PTGS2LIPG
SCHEMBL7464903 0.76 PTGS2 (0.46) TLR8PTGS2LIPGMAPT
SCHEMBL31404018 0.76 APOBEC3G (0.48) TLR8PTGS2LIPGCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157247-A1 ANTI-VIRAL THERAPY Novabiotics Limited (GB) 2023-04-05 EP disclosed
WO-2021240145-A1 ANTI-VIRAL THERAPY NOVABIOTICS LIMITED (GB) 2021-12-02 WO disclosed
WO-2017212239-A1 TREATMENT OF DRUG-RESISTANT MICROBIAL INFECTIONS NOVABIOTICS LIMITED (GB) 2017-12-14 WO disclosed