SCHEMBL9670375

SCHEMBL9670375

CCCCCCCCCCCCC(OC(=O)N[C@H](C)c1ccccc1)C1=CC(=O)OC1O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.44
POLB P06746 1/20 0.43
MMP2 P08253 2/20 0.39
MMP3 P08254 1/20 0.39
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 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
SCHEMBL9670215 1.00 CTSK (0.44) CTSKPOLBMMP2MMP3CTSV
SCHEMBL9745321 0.85 HDAC8 (0.40)
SCHEMBL9326292 0.83 POLB (0.51) POLBMMP2MMP3
SCHEMBL8985048 0.83 POLB (0.51) POLBMMP2MMP3
SCHEMBL9672430 0.82 NAAA (0.40)
Benzene SCHEMBL9328037 0.81 PDCD4 (0.45)
SCHEMBL9422785 0.80 CTSK (0.45) CTSKPOLBMMP2MMP3CTSV
SCHEMBL9422783 0.80 CTSK (0.45) CTSKPOLBMMP2MMP3CTSV
SCHEMBL9328030 0.80 TSHR (0.41)
SCHEMBL9671381 0.79 PDCD4 (0.47)

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
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed