SCHEMBL8322873

SCHEMBL8322873

COC(=O)C(CCCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.53
PPARA Q07869 1/20 0.52
CTSK P43235 3/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
KLK7 P49862 2/20 0.50
CTSS P25774 2/20 0.49
SYK P43405 1/20 0.49
MAPT P10636 1/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL19020373 0.93 PPARA (0.54) KLK5PPARACTSKSIRT2SIRT1
SCHEMBL2301376 0.93 PPARA (0.54) KLK5PPARACTSKSIRT2SIRT1
SCHEMBL17446701 0.93 PPARA (0.54) KLK5PPARACTSKSIRT2SIRT1
SCHEMBL8178286 0.92 PPARA (0.58) KLK5PPARACTSKSIRT2SIRT1
SCHEMBL8177426 0.92 PPARA (0.58) KLK5PPARACTSKSIRT2SIRT1
SCHEMBL5970500 0.91 PPARA (0.52) KLK5PPARACTSKKLK7CTSS
SCHEMBL23153704 0.88 CTSS (0.54) KLK5PPARACTSKKLK7CTSS
SCHEMBL22404783 0.88 CTSK (0.49) KLK5PPARACTSKKLK7CTSS
SCHEMBL25985265 0.88 CTSK (0.49) KLK5PPARACTSKKLK7CTSS
SCHEMBL31106340 0.88 PPARA (0.51) KLK5PPARACTSKSIRT2SIRT1

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
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed