SCHEMBL22272045

SCHEMBL22272045

CS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2c(=O)o1)CCCCO3

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 14/20 0.79
▸ CTSG P08311 13/20 0.79
▸ KLK14 Q9P0G3 13/20 0.79
▸ KLK5 Q9Y337 13/20 0.79
▸ CTRC Q99895 4/20 0.79
▸ PRSS1 P07477 4/20 0.76
▸ C1R P00736 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 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
SCHEMBL18353430 0.89 KLK7 (1.00) KLK7CTSGKLK14KLK5CTRC
SCHEMBL18352896 0.86 KLK7 (1.00) KLK7CTSGKLK14KLK5CTRC
SCHEMBL26480185 0.73 KLK7 (0.72) KLK7CTSGKLK14KLK5CTRC
SCHEMBL26480187 0.73 KLK7 (0.72) KLK7CTSGKLK14KLK5CTRC
SCHEMBL23159921 0.73 KLK7 (0.74) KLK7CTSGKLK14KLK5CTRC
SCHEMBL29838660 0.73 KLK7 (0.74) KLK7CTSGKLK14KLK5CTRC
SCHEMBL23159922 0.73 KLK7 (0.70) KLK7CTSGKLK14KLK5CTRC
SCHEMBL23159923 0.73 KLK7 (0.70) KLK7CTSGKLK14KLK5CTRC
SCHEMBL29838606 0.73 KLK7 (0.70) KLK7CTSGKLK14KLK5CTRC
SCHEMBL18352858 0.72 KLK7 (1.00) KLK7CTSGKLK14KLK5CTRC

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-3097085-B1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES SIXERA PHARMA AB (SE) 2020-07-29 — — EP disclosed
Send feedback