SCHEMBL9828992

SCHEMBL9828992

CCCOc1c(C#N)cc(C(O)CCC(O)c2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL10518692 0.90 PTAFR (0.40) HPGDTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9829357 0.81 TUBB4A (0.41) HPGDTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7121425 0.81 PTAFR (0.42) HPGDTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9829246 0.78 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10448547 0.77 PTAFR (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8100808 0.76 L3MBTL1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9828738 0.75 ALDH1A1 (0.47) HPGDL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9827886 0.73 PTAFR (0.64) PTAFR
SCHEMBL9827868 0.73 PTAFR (0.64) PTAFR
SCHEMBL10448827 0.73 PTAFR (0.44) HPGDPTAFR

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