SCHEMBL6031369

SCHEMBL6031369

CCc1ccc(OCOC)c(Br)c1CCOCC1COC(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
F10 P00742 1/20 0.30

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
SCHEMBL2860209 0.85 CA2 (0.32) CA2
SCHEMBL4312783 0.77 CA2 (0.32) CA2
SCHEMBL2860085 0.76 ALDH1A1 (0.36)
SCHEMBL15225835 0.76 ALDH1A1 (0.36)
SCHEMBL15225735 0.76 CYP3A4 (0.32)
SCHEMBL2859491 0.75 TSHR (0.33)
SCHEMBL2862969 0.74
SCHEMBL2869163 0.74 CA2 (0.31) CA2
SCHEMBL2869265 0.73 ADORA3 (0.32)
SCHEMBL2854715 0.73 L3MBTL1 (0.35) F10

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-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 EP disclosed