SCHEMBL9600916

SCHEMBL9600916

CCCSCCCC[CH]CCCCSC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19773530 0.86 CA2 (0.38) CA2TDP1
SCHEMBL14996456 0.81
SCHEMBL7780469 0.79 TDP1 (0.40) TDP1
SCHEMBL7570196 0.76 EPHX1 (0.30)
SCHEMBL7156917 0.76 CA2 (0.43) CA2
SCHEMBL29116236 0.75 CES2 (0.40) CA2TDP1
SCHEMBL27841902 0.75 TDP1 (0.40) TDP1
SCHEMBL27418490 0.74 CA2 (0.52) CA2
SCHEMBL1455042 0.73 TSHR (0.54)
SCHEMBL10360501 0.73 CES2 (0.30)

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-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed