SCHEMBL8688191

SCHEMBL8688191

COc1c(Br)c(C2OOCCOO2)c(OC)c(OC)c1OC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA1 P00915 1/20 0.31
CA6 P23280 1/20 0.31
PTPN1 P18031 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
SCHEMBL8685234 0.88
SCHEMBL9549793 0.64 CA2 (0.52) CA2CA4CA1CA6PTPN1
SCHEMBL28870384 0.62 CA2 (0.57) CA2CA4CA1CA6PTPN1
SCHEMBL28051576 0.61 CA2 (0.55) CA2CA4CA1CA6PTPN1
SCHEMBL8683204 0.61
SCHEMBL8250446 0.59 CA2 (0.42) CA2CA4CA1CA6PTPN1
SCHEMBL17910254 0.59 CA2 (0.60) CA2CA4CA1CA6PTPN1
SCHEMBL1275689 0.56 CA2 (0.44) CA2CA4CA1CA6PTPN1
SCHEMBL28669928 0.56 CA2 (0.48) CA2CA4CA1CA6PTPN1
SCHEMBL17910250 0.56 CA2 (0.55) CA2CA4CA1CA6PTPN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731455-A ALKYL 2-ALKYLACYLACRYLATE CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS SHIONOGI & CO., LTD. (JP) 1998-03-24 US disclosed
EP-0597107-B1 LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG SHIONOGI & CO (JP) 1996-07-03 EP disclosed
US-5502216-A ANTICHOLESTEROL SHIONOGI & CO., LTD. (JP) 1996-03-26 US disclosed
EP-0701991-A1 Process for the preparation of lignin analogues and starting materials therefor SHIONOGI & CO., LTD. (JP) 1996-03-20 EP disclosed
US-5449814-A Dehydration; Michael condensation SHIONOGI & CO., LTD. (JP) 1995-09-12 US disclosed
US-5420333-A Hydroxy ketone compounds SHIONOGI & CO., LTD. (JP) 1995-05-30 US disclosed
EP-0597107-A1 LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG SHIONOGI & CO., LTD. (JP) 1994-05-18 EP disclosed