SCHEMBL9828301

SCHEMBL9828301

C=CCOc1c(N)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 15/20 0.61
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL9828289 1.00 PTAFR (0.61) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9828279 1.00 PTAFR (0.61) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8102989 0.84 PTAFR (0.81) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8102982 0.84 PTAFR (0.81) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8103001 0.84 PTAFR (0.81) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9830831 0.83 PTAFR (0.58) PTAFRPTGS1PTGS2
SCHEMBL9860151 0.83 PTAFR (0.58) PTAFRPTGS1PTGS2
SCHEMBL9828195 0.83 PTAFR (0.58) PTAFRPTGS1PTGS2
SCHEMBL8109877 0.82 PTAFR (0.67) PTAFR
SCHEMBL8109886 0.82 PTAFR (0.67) PTAFR

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-0199324-B1 NEW 2,5-DIARYL TETRYHYDROFURANS AND ANALOGS THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1991-10-02 EP disclosed
EP-0322033-A2 New 2,5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1989-06-28 EP disclosed
EP-0199324-A2 New 2,5-diaryl tetryhydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1986-10-29 EP disclosed